 Entering Gaussian System, Link 0=g16
 Input=05_alphapinene_STD_wB97XD-augccpVDZr.in
 Output=05_alphapinene_STD_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/05_alphapinene_STD/Gau-13269.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/05_alphapinene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     13270.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=05_alphapinene_STD_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 21:45:01 2021, MaxMem= 10737418240 cpu:               2.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "05_alphapinene_STD_wB97XD-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.503651000000      0.908216000000      0.507488000000
  C                                                 0.290384000000      1.804712000000      0.536372000000
  C                                                 1.436486000000     -0.280373000000     -0.092333000000
  C                                                 2.556356000000     -1.268228000000     -0.145852000000
  C                                                 0.123938000000     -0.632595000000     -0.761632000000
  C                                                -1.078310000000     -0.328744000000      0.207184000000
  C                                                -0.867453000000      1.159910000000     -0.235542000000
  C                                                -0.320490000000      0.612788000000     -1.578519000000
  H                                                 2.411320000000      1.240625000000      0.999510000000
  H                                                 0.526867000000      2.781351000000      0.099045000000
  H                                                -0.005727000000      2.005386000000      1.572636000000
  H                                                 3.449206000000     -0.892879000000      0.355226000000
  H                                                 2.817419000000     -1.510836000000     -1.180937000000
  H                                                 2.264835000000     -2.210108000000      0.330473000000
  H                                                 0.146974000000     -1.606808000000     -1.251700000000
  C                                                -0.951378000000     -0.684230000000      1.680802000000
  C                                                -2.395364000000     -0.902700000000     -0.314912000000
  H                                                -1.749053000000      1.803451000000     -0.256178000000
  H                                                -1.103985000000      0.399461000000     -2.300386000000
  H                                                 0.473946000000      1.180887000000     -2.060869000000
  H                                                -0.016390000000     -0.343402000000      2.118644000000
  H                                                -1.008073000000     -1.767780000000      1.815303000000
  H                                                -1.775477000000     -0.242117000000      2.247181000000
  H                                                -2.569985000000     -0.690863000000     -1.368440000000
  H                                                -3.236117000000     -0.490937000000      0.249338000000
  H                                                -2.412689000000     -1.987970000000     -0.187175000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 NAtoms=     26 NQM=       26 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1          12          12           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           0           0           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Thu Jul  8 21:45:02 2021, MaxMem= 10737418240 cpu:               2.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.503651    0.908216    0.507488
      2          6           0        0.290384    1.804712    0.536372
      3          6           0        1.436486   -0.280373   -0.092333
      4          6           0        2.556356   -1.268228   -0.145852
      5          6           0        0.123938   -0.632595   -0.761632
      6          6           0       -1.078310   -0.328744    0.207184
      7          6           0       -0.867453    1.159910   -0.235542
      8          6           0       -0.320490    0.612788   -1.578519
      9          1           0        2.411320    1.240625    0.999510
     10          1           0        0.526867    2.781351    0.099045
     11          1           0       -0.005727    2.005386    1.572636
     12          1           0        3.449206   -0.892879    0.355226
     13          1           0        2.817419   -1.510836   -1.180937
     14          1           0        2.264835   -2.210108    0.330473
     15          1           0        0.146974   -1.606808   -1.251700
     16          6           0       -0.951378   -0.684230    1.680802
     17          6           0       -2.395364   -0.902700   -0.314912
     18          1           0       -1.749053    1.803451   -0.256178
     19          1           0       -1.103985    0.399461   -2.300386
     20          1           0        0.473946    1.180887   -2.060869
     21          1           0       -0.016390   -0.343402    2.118644
     22          1           0       -1.008073   -1.767780    1.815303
     23          1           0       -1.775477   -0.242117    2.247181
     24          1           0       -2.569985   -0.690863   -1.368440
     25          1           0       -3.236117   -0.490937    0.249338
     26          1           0       -2.412689   -1.987970   -0.187175
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.508826   0.000000
     3  C    1.333057   2.460975   0.000000
     4  C    2.504386   3.878533   1.494266   0.000000
     5  C    2.426597   2.766403   1.514861   2.588411   0.000000
     6  C    2.878676   2.556036   2.533032   3.770684   1.573636
     7  C    2.497514   1.533691   2.720856   4.198377   2.114876
     8  C    2.786789   2.503321   2.468491   3.723842   1.554284
     9  H    1.084640   2.243003   2.110890   2.761745   3.441321
    10  H    2.151643   1.095903   3.199717   4.536286   3.543747
    11  H    2.148614   1.096264   3.174397   4.498224   3.524849
    12  H    2.655619   4.157880   2.150933   1.090480   3.517460
    13  H    3.229331   4.508649   2.146177   1.094721   2.863907
    14  H    3.214760   4.478798   2.142149   1.094992   2.874836
    15  H    3.355691   3.854379   2.183209   2.672575   1.090774
    16  C    3.152732   3.007744   3.001500   3.997739   2.669167
    17  C    4.376994   3.907430   3.888432   4.968070   2.572819
    18  H    3.459005   2.188022   3.810095   5.289984   3.114145
    19  H    3.865586   3.459218   3.433899   4.563036   2.222768
    20  H    2.780485   2.677408   2.633799   3.741909   2.258150
    21  H    2.544189   2.685533   2.646364   3.549967   2.898157
    22  H    3.896164   4.010530   3.439088   4.098882   3.034912
    23  H    3.886191   3.374042   3.973851   5.054136   3.579554
    24  H    4.761373   4.247107   4.224779   5.301645   2.762034
    25  H    4.948704   4.217654   4.689808   5.857738   3.511709
    26  H    4.920180   4.713233   4.212010   5.021070   2.932835
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.567341   0.000000
     8  C    2.156272   1.549870   0.000000
     9  H    3.907457   3.504600   3.808307   0.000000
    10  H    3.501568   2.164520   2.869652   2.595349   0.000000
    11  H    2.909133   2.174146   3.459506   2.599125   1.748499
    12  H    4.564928   4.816274   4.496333   2.458485   4.701666
    13  H    4.301270   4.648111   3.809767   3.534092   5.030691
    14  H    3.838144   4.635582   4.277487   3.518043   5.290440
    15  H    2.294147   3.117109   2.291711   4.278210   4.607035
    16  C    1.521194   2.660878   3.564190   3.934077   4.086247
    17  C    1.528608   2.568107   2.863304   5.424551   4.720490
    18  H    2.282730   1.091691   2.281898   4.382035   2.502456
    19  H    2.611293   2.213100   1.086492   4.894307   3.753711
    20  H    3.135690   2.265306   1.089278   3.622555   2.688776
    21  H    2.186680   2.920008   3.830899   3.107310   3.760052
    22  H    2.159121   3.577305   4.202131   4.626907   5.098644
    23  H    2.157576   2.992340   4.181367   4.613510   4.365391
    24  H    2.199731   2.758158   2.608422   5.843906   4.878553
    25  H    2.164305   2.927623   3.613883   5.954377   4.989039
    26  H    2.165437   3.507028   3.616224   5.924788   5.609753
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.671037   0.000000
    13  H    5.283572   1.772237   0.000000
    14  H    4.946596   1.771564   1.754620   0.000000
    15  H    4.587825   3.741209   2.673106   2.711564   0.000000
    16  C    2.853067   4.600633   4.803817   3.807324   3.264521
    17  C    4.210720   5.882872   5.319110   4.882959   2.799433
    18  H    2.534664   5.887776   5.717722   5.706497   4.026891
    19  H    4.334220   5.427151   4.503311   5.008015   2.586456
    20  H    3.756627   4.357774   3.675802   4.519364   2.921114
    21  H    2.411440   3.927076   4.503400   3.447627   3.603068
    22  H    3.911568   4.771228   4.865990   3.621091   3.281243
    23  H    2.939098   5.594667   5.869952   4.885783   4.219048
    24  H    4.742901   6.264383   5.452672   5.345081   2.869573
    25  H    4.291639   6.698232   6.303267   5.763905   3.865694
    26  H    4.983703   5.987924   5.345021   4.711320   2.798280
                   16         17         18         19         20
    16  C    0.000000
    17  C    2.472994   0.000000
    18  H    3.252189   2.782880   0.000000
    19  H    4.128866   2.702848   2.562438   0.000000
    20  H    4.417048   3.952549   2.930225   1.777037   0.000000
    21  H    1.087231   3.448844   3.640176   4.611132   4.475736
    22  H    1.093337   2.685285   4.194494   4.652422   5.090749
    23  H    1.093338   2.717527   3.232933   4.641432   5.064004
    24  H    3.452218   1.088710   2.851782   2.050972   3.639838
    25  H    2.703051   1.093066   2.780490   3.440914   4.679382
    26  H    2.706382   1.092899   3.849681   3.446476   4.678146
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.761903   0.000000
    23  H    1.766683   1.761555   0.000000
    24  H    4.336050   3.706149   3.728985   0.000000
    25  H    3.725951   3.007782   2.487319   1.760939   0.000000
    26  H    3.709940   2.455880   3.062700   1.761424   1.763430
                   26
    26  H    0.000000
 Stoichiometry    C10H16
 Framework group  C1[X(C10H16)]
 Deg. of freedom    72
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.93D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.503651    0.908216    0.507488
      2          6           0        0.290384    1.804712    0.536372
      3          6           0        1.436486   -0.280373   -0.092333
      4          6           0        2.556356   -1.268228   -0.145852
      5          6           0        0.123938   -0.632595   -0.761632
      6          6           0       -1.078310   -0.328744    0.207184
      7          6           0       -0.867453    1.159910   -0.235542
      8          6           0       -0.320490    0.612788   -1.578519
      9          1           0        2.411320    1.240625    0.999510
     10          1           0        0.526867    2.781351    0.099045
     11          1           0       -0.005727    2.005386    1.572636
     12          1           0        3.449206   -0.892879    0.355226
     13          1           0        2.817419   -1.510836   -1.180937
     14          1           0        2.264835   -2.210108    0.330473
     15          1           0        0.146974   -1.606808   -1.251700
     16          6           0       -0.951378   -0.684230    1.680802
     17          6           0       -2.395364   -0.902700   -0.314912
     18          1           0       -1.749053    1.803451   -0.256178
     19          1           0       -1.103985    0.399461   -2.300386
     20          1           0        0.473946    1.180887   -2.060869
     21          1           0       -0.016390   -0.343402    2.118644
     22          1           0       -1.008073   -1.767780    1.815303
     23          1           0       -1.775477   -0.242117    2.247181
     24          1           0       -2.569985   -0.690863   -1.368440
     25          1           0       -3.236117   -0.490937    0.249338
     26          1           0       -2.412689   -1.987970   -0.187175
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.9468256           1.2329030           1.1311138
 Leave Link  202 at Thu Jul  8 21:45:02 2021, MaxMem= 10737418240 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     18     19     20
 Centers:      21     22     23     24     25     26
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     16     17
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 408 were deleted.
 There are   394 symmetry adapted cartesian basis functions of A   symmetry.
 There are   374 symmetry adapted basis functions of A   symmetry.
   374 basis functions,   662 primitive gaussians,   394 cartesian basis functions
    38 alpha electrons       38 beta electrons
       nuclear repulsion energy       568.6660221298 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   26 NActive=   26 NUniq=   26 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0204803040 Hartrees.
 Nuclear repulsion after empirical dispersion term =      568.6455418258 Hartrees.
 Leave Link  301 at Thu Jul  8 21:45:05 2021, MaxMem= 10737418240 cpu:              33.9 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   374 RedAO= T EigKep=  2.65D-06  NBF=   374
 NBsUse=   374 1.00D-06 EigRej= -1.00D+00 NBFU=   374
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   394   394   394   394   394 MxSgAt=    26 MxSgA2=    26.
 Leave Link  302 at Thu Jul  8 21:45:06 2021, MaxMem= 10737418240 cpu:              10.6 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 21:45:06 2021, MaxMem= 10737418240 cpu:               1.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "05_alphapinene_STD_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 21:45:07 2021, MaxMem= 10737418240 cpu:              10.7 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737097578 LenY= 10736941901
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -390.584976047291    
 DIIS: error= 1.51D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -390.584976047291     IErMin= 1 ErrMin= 1.51D-03
 ErrMax= 1.51D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.81D-03 BMatP= 4.81D-03
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.51D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.390 Goal=   None    Shift=    0.000
 GapD=    0.390 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=3.05D-02 MaxDP=3.81D+00              OVMax= 1.07D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.32D-02    CP:  1.53D+00
 E= -390.588879493278     Delta-E=       -0.003903445987 Rises=F Damp=F
 DIIS: error= 2.30D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -390.588879493278     IErMin= 2 ErrMin= 2.30D-04
 ErrMax= 2.30D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.25D-05 BMatP= 4.81D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.30D-03
 Coeff-Com: -0.528D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.527D-01 0.105D+01
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=4.16D-03 MaxDP=6.07D-01 DE=-3.90D-03 OVMax= 2.64D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.59D-04    CP:  1.60D+00  1.13D+00
 E= -390.588969573997     Delta-E=       -0.000090080719 Rises=F Damp=F
 DIIS: error= 1.71D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -390.588969573997     IErMin= 3 ErrMin= 1.71D-04
 ErrMax= 1.71D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.55D-05 BMatP= 6.25D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.71D-03
 Coeff-Com: -0.246D-01 0.333D+00 0.691D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.246D-01 0.333D+00 0.692D+00
 Gap=     0.338 Goal=   None    Shift=    0.000
 RMSDP=2.80D-04 MaxDP=3.70D-02 DE=-9.01D-05 OVMax= 9.81D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.01D-04    CP:  1.60D+00  1.14D+00  1.05D+00
 E= -390.588984222383     Delta-E=       -0.000014648386 Rises=F Damp=F
 DIIS: error= 5.11D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -390.588984222383     IErMin= 4 ErrMin= 5.11D-05
 ErrMax= 5.11D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.42D-06 BMatP= 1.55D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.182D-02-0.325D-01 0.249D+00 0.785D+00
 Coeff:     -0.182D-02-0.325D-01 0.249D+00 0.785D+00
 Gap=     0.338 Goal=   None    Shift=    0.000
 RMSDP=9.03D-05 MaxDP=1.29D-02 DE=-1.46D-05 OVMax= 3.93D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.72D-05    CP:  1.60D+00  1.14D+00  1.11D+00  9.56D-01
 E= -390.588986863182     Delta-E=       -0.000002640799 Rises=F Damp=F
 DIIS: error= 1.03D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -390.588986863182     IErMin= 5 ErrMin= 1.03D-05
 ErrMax= 1.03D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.10D-07 BMatP= 2.42D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.147D-02-0.348D-01 0.164D-01 0.213D+00 0.804D+00
 Coeff:      0.147D-02-0.348D-01 0.164D-01 0.213D+00 0.804D+00
 Gap=     0.338 Goal=   None    Shift=    0.000
 RMSDP=1.22D-05 MaxDP=1.36D-03 DE=-2.64D-06 OVMax= 1.29D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.10D-06    CP:  1.60D+00  1.14D+00  1.11D+00  9.99D-01  1.05D+00
 E= -390.588986994135     Delta-E=       -0.000000130953 Rises=F Damp=F
 DIIS: error= 2.43D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -390.588986994135     IErMin= 6 ErrMin= 2.43D-06
 ErrMax= 2.43D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-08 BMatP= 1.10D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.549D-03-0.836D-02-0.810D-02 0.231D-01 0.278D+00 0.715D+00
 Coeff:      0.549D-03-0.836D-02-0.810D-02 0.231D-01 0.278D+00 0.715D+00
 Gap=     0.338 Goal=   None    Shift=    0.000
 RMSDP=5.01D-06 MaxDP=6.70D-04 DE=-1.31D-07 OVMax= 5.28D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.17D-06    CP:  1.60D+00  1.14D+00  1.11D+00  1.00D+00  1.07D+00
                    CP:  1.01D+00
 E= -390.588987007824     Delta-E=       -0.000000013689 Rises=F Damp=F
 DIIS: error= 9.26D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -390.588987007824     IErMin= 7 ErrMin= 9.26D-07
 ErrMax= 9.26D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-09 BMatP= 1.14D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.345D-04 0.505D-03-0.381D-02-0.134D-01 0.534D-02 0.208D+00
 Coeff-Com:  0.803D+00
 Coeff:      0.345D-04 0.505D-03-0.381D-02-0.134D-01 0.534D-02 0.208D+00
 Coeff:      0.803D+00
 Gap=     0.338 Goal=   None    Shift=    0.000
 RMSDP=2.64D-06 MaxDP=3.70D-04 DE=-1.37D-08 OVMax= 2.34D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.48D-07    CP:  1.60D+00  1.14D+00  1.11D+00  1.00D+00  1.08D+00
                    CP:  1.06D+00  1.16D+00
 E= -390.588987009235     Delta-E=       -0.000000001411 Rises=F Damp=F
 DIIS: error= 4.24D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -390.588987009235     IErMin= 8 ErrMin= 4.24D-07
 ErrMax= 4.24D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.22D-10 BMatP= 1.04D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.606D-04 0.136D-02-0.769D-03-0.969D-02-0.383D-01-0.638D-02
 Coeff-Com:  0.359D+00 0.695D+00
 Coeff:     -0.606D-04 0.136D-02-0.769D-03-0.969D-02-0.383D-01-0.638D-02
 Coeff:      0.359D+00 0.695D+00
 Gap=     0.338 Goal=   None    Shift=    0.000
 RMSDP=6.02D-07 MaxDP=5.93D-05 DE=-1.41D-09 OVMax= 1.03D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.20D-07    CP:  1.60D+00  1.14D+00  1.11D+00  1.00D+00  1.08D+00
                    CP:  1.08D+00  1.26D+00  1.09D+00
 E= -390.588987009524     Delta-E=       -0.000000000289 Rises=F Damp=F
 DIIS: error= 1.02D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -390.588987009524     IErMin= 9 ErrMin= 1.02D-07
 ErrMax= 1.02D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.21D-12 BMatP= 2.22D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.133D-04 0.203D-03 0.152D-03-0.254D-03-0.735D-02-0.178D-01
 Coeff-Com: -0.154D-01 0.131D+00 0.909D+00
 Coeff:     -0.133D-04 0.203D-03 0.152D-03-0.254D-03-0.735D-02-0.178D-01
 Coeff:     -0.154D-01 0.131D+00 0.909D+00
 Gap=     0.338 Goal=   None    Shift=    0.000
 RMSDP=1.51D-07 MaxDP=7.12D-06 DE=-2.89D-10 OVMax= 2.89D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  7.86D-08    CP:  1.60D+00  1.14D+00  1.11D+00  1.00D+00  1.08D+00
                    CP:  1.08D+00  1.28D+00  1.18D+00  1.10D+00
 E= -390.588987009583     Delta-E=       -0.000000000059 Rises=F Damp=F
 DIIS: error= 2.74D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -390.588987009583     IErMin=10 ErrMin= 2.74D-08
 ErrMax= 2.74D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.28D-13 BMatP= 9.21D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.266D-05-0.815D-04 0.963D-04 0.911D-03 0.196D-02-0.284D-02
 Coeff-Com: -0.381D-01-0.251D-01 0.198D+00 0.865D+00
 Coeff:      0.266D-05-0.815D-04 0.963D-04 0.911D-03 0.196D-02-0.284D-02
 Coeff:     -0.381D-01-0.251D-01 0.198D+00 0.865D+00
 Gap=     0.338 Goal=   None    Shift=    0.000
 RMSDP=6.98D-08 MaxDP=8.23D-06 DE=-5.90D-11 OVMax= 9.54D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.12D-08    CP:  1.60D+00  1.14D+00  1.11D+00  1.00D+00  1.08D+00
                    CP:  1.08D+00  1.29D+00  1.19D+00  1.13D+00  1.23D+00
 E= -390.588987009546     Delta-E=        0.000000000037 Rises=F Damp=F
 DIIS: error= 8.36D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -390.588987009583     IErMin=11 ErrMin= 8.36D-09
 ErrMax= 8.36D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.19D-13 BMatP= 7.28D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.223D-05-0.503D-04 0.153D-04 0.346D-03 0.136D-02 0.618D-03
 Coeff-Com: -0.133D-01-0.194D-01-0.173D-01 0.303D+00 0.745D+00
 Coeff:      0.223D-05-0.503D-04 0.153D-04 0.346D-03 0.136D-02 0.618D-03
 Coeff:     -0.133D-01-0.194D-01-0.173D-01 0.303D+00 0.745D+00
 Gap=     0.338 Goal=   None    Shift=    0.000
 RMSDP=1.34D-08 MaxDP=1.20D-06 DE= 3.66D-11 OVMax= 2.51D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  6.49D-09    CP:  1.60D+00  1.14D+00  1.11D+00  1.00D+00  1.08D+00
                    CP:  1.08D+00  1.29D+00  1.20D+00  1.13D+00  1.32D+00
                    CP:  1.08D+00
 E= -390.588987009561     Delta-E=       -0.000000000015 Rises=F Damp=F
 DIIS: error= 2.43D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -390.588987009583     IErMin=12 ErrMin= 2.43D-09
 ErrMax= 2.43D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.84D-15 BMatP= 1.19D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.664D-08 0.218D-05-0.531D-05-0.426D-04-0.469D-04 0.373D-03
 Coeff-Com:  0.183D-02 0.160D-02-0.211D-01-0.494D-01 0.588D-01 0.101D+01
 Coeff:     -0.664D-08 0.218D-05-0.531D-05-0.426D-04-0.469D-04 0.373D-03
 Coeff:      0.183D-02 0.160D-02-0.211D-01-0.494D-01 0.588D-01 0.101D+01
 Gap=     0.338 Goal=   None    Shift=    0.000
 RMSDP=6.97D-09 MaxDP=6.10D-07 DE=-1.47D-11 OVMax= 9.89D-08

 SCF Done:  E(RwB97XD) =  -390.588987010     A.U. after   12 cycles
            NFock= 12  Conv=0.70D-08     -V/T= 2.0065
 KE= 3.880720715168D+02 PE=-2.041375261028D+03 EE= 6.940686606761D+02
 Leave Link  502 at Thu Jul  8 21:49:47 2021, MaxMem= 10737418240 cpu:            4464.5 elap:             279.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   374
 NBasis=   374 NAE=    38 NBE=    38 NFC=     0 NFV=     0
 NROrb=    374 NOA=    38 NOB=    38 NVA=   336 NVB=   336

 **** Warning!!: The largest alpha MO coefficient is  0.84618760D+02

 Leave Link  801 at Thu Jul  8 21:49:48 2021, MaxMem= 10737418240 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8043 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          26
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.13D-13 8.33D-09 XBig12= 1.00D+00 1.64D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.13D-13 8.33D-09 XBig12= 1.83D-01 3.73D-02.
     11 vectors produced by pass  2 Test12= 2.13D-13 8.33D-09 XBig12= 4.24D-02 3.80D-02.
     11 vectors produced by pass  3 Test12= 2.13D-13 8.33D-09 XBig12= 2.38D-03 6.89D-03.
     11 vectors produced by pass  4 Test12= 2.13D-13 8.33D-09 XBig12= 1.50D-04 1.61D-03.
     11 vectors produced by pass  5 Test12= 2.13D-13 8.33D-09 XBig12= 1.21D-05 4.67D-04.
     11 vectors produced by pass  6 Test12= 2.13D-13 8.33D-09 XBig12= 5.43D-07 1.42D-04.
     11 vectors produced by pass  7 Test12= 2.13D-13 8.33D-09 XBig12= 2.44D-08 3.30D-05.
     11 vectors produced by pass  8 Test12= 2.13D-13 8.33D-09 XBig12= 5.41D-10 2.99D-06.
      9 vectors produced by pass  9 Test12= 2.13D-13 8.33D-09 XBig12= 1.27D-11 4.19D-07.
      7 vectors produced by pass 10 Test12= 2.13D-13 8.33D-09 XBig12= 2.15D-13 5.22D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   115 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.123128D+03
      2 -0.323275D+00  0.120242D+03
      3  0.461942D+00  0.472302D+01  0.107899D+03
 Isotropic polarizability for W=    0.093368      117.09 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1   0.118109D+02 -0.384797D+02  0.809648D+00
      2   0.490622D+01  0.199215D+02  0.764755D+01
      3  -0.167172D+02  0.185582D+02 -0.845720D+01
      4  -0.382523D+02  0.359071D+02  0.268857D+02
      5   0.133715D+02  0.242887D+02 -0.189814D+02
      6   0.985629D+01  0.181377D+02  0.735738D+00
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.183352D+00  0.264593D+01  0.494075D+01
      2   0.399151D+01  0.157689D+02 -0.356894D+01
      3   0.775286D+01 -0.237967D+02 -0.148213D+02
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.259697D+01  0.104901D+02  0.178225D+02
      2  -0.125618D+02  0.170294D+02 -0.226424D+01
      3   0.227396D+00 -0.310009D+02 -0.144324D+02
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.175480D+00 -0.191832D+01 -0.917166D+00
      2  -0.191832D+01 -0.324499D+01  0.268326D+01
      3  -0.917166D+00  0.268326D+01  0.418465D+01
 OR G Eigenvalues:    -4.6698    -0.0164     5.4504  Iso=    -0.2547
 Eigenvectors:
   (1)   0.339123   0.909485  -0.240485
   (2)   0.903435  -0.243578   0.352809
   (3)  -0.262298   0.336908   0.904264
 w=    0.093368 a.u., Optical Rotation Beta=     -0.2547 au.
 Molar Mass =    136.2364 grams/mole, [Alpha] ( 4880.0 A) =     -105.39 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   70125 ScalPx= 1.20D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   70125 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.85D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.55D-14 2.78D-09 XBig12= 1.00D+00 3.25D-01.
     30 vectors produced by pass  1 Test12= 3.55D-14 2.78D-09 XBig12= 2.29D-02 1.43D-02.
     30 vectors produced by pass  2 Test12= 3.55D-14 2.78D-09 XBig12= 1.30D-03 4.39D-03.
     30 vectors produced by pass  3 Test12= 3.55D-14 2.78D-09 XBig12= 1.89D-05 3.88D-04.
     30 vectors produced by pass  4 Test12= 3.55D-14 2.78D-09 XBig12= 3.00D-07 4.58D-05.
     30 vectors produced by pass  5 Test12= 3.55D-14 2.78D-09 XBig12= 3.44D-09 5.19D-06.
     30 vectors produced by pass  6 Test12= 3.55D-14 2.78D-09 XBig12= 3.74D-11 4.42D-07.
     30 vectors produced by pass  7 Test12= 3.55D-14 2.78D-09 XBig12= 2.66D-13 4.13D-08.
     13 vectors produced by pass  8 Test12= 3.55D-14 2.78D-09 XBig12= 4.02D-15 5.89D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   253 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   70125 ScalPx= 4.64D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   70125 ScalPx= 4.64D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   70125 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.01D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.123128D+03 -0.323275D+00  0.461942D+00
      2  -0.323275D+00  0.120242D+03  0.472302D+01
      3   0.461942D+00  0.472302D+01  0.107899D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.183352D+00  0.264593D+01  0.494075D+01
      2   0.399151D+01  0.157689D+02 -0.356894D+01
      3   0.775286D+01 -0.237967D+02 -0.148213D+02
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.118109D+02 -0.384797D+02  0.809648D+00
      2   0.490622D+01  0.199215D+02  0.764755D+01
      3  -0.167172D+02  0.185582D+02 -0.845720D+01
      4  -0.382523D+02  0.359071D+02  0.268857D+02
      5   0.133715D+02  0.242887D+02 -0.189814D+02
      6   0.985629D+01  0.181377D+02  0.735738D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.332538D+01  0.253735D+00 -0.153421D+01  0.206340D+01 -0.368766D+00
      2   0.253735D+00 -0.426821D+00 -0.253893D+01 -0.368766D+00  0.165456D+02
      3  -0.153421D+01 -0.253893D+01 -0.209667D+01 -0.193419D+01  0.327265D+01
                 6             7             8             9            10 
      1  -0.193419D+01 -0.844391D+00 -0.306063D+01 -0.188568D+01  0.816585D+00
      2   0.327265D+01 -0.306063D+01  0.236815D+01  0.391748D+01  0.814837D+00
      3   0.311191D+01 -0.188568D+01  0.391748D+01  0.583266D+01  0.492824D+00
                11            12            13            14            15 
      1   0.814837D+00  0.492824D+00  0.184550D+01  0.290043D+00  0.193454D+01
      2   0.832112D+00  0.324839D+01  0.290043D+00 -0.107631D+02  0.498922D+00
      3   0.324839D+01  0.278051D+01  0.193454D+01  0.498922D+00 -0.112516D+01
                16            17            18            19            20 
      1   0.104244D+01  0.306459D+01  0.290597D+01  0.198954D+01 -0.254968D+01
      2   0.306459D+01  0.233986D+01 -0.371853D+01 -0.254968D+01  0.127766D+01
      3   0.290597D+01 -0.371853D+01 -0.559879D+01 -0.358929D+00  0.110476D+01
                21            22            23            24            25 
      1  -0.358929D+00 -0.267492D+01  0.107285D+01  0.127494D+01 -0.101696D+01
      2   0.110476D+01  0.107285D+01 -0.164167D+02 -0.439675D+01  0.364630D+00
      3   0.718665D+00  0.127494D+01 -0.439675D+01 -0.421432D+01  0.146089D+01
                26            27            28            29            30 
      1   0.364630D+00  0.146089D+01 -0.424141D+01 -0.752738D+00 -0.122761D+01
      2  -0.463015D+01 -0.399616D+01 -0.752738D+00 -0.384961D+00 -0.272710D+01
      3  -0.399616D+01 -0.451155D+01 -0.122761D+01 -0.272710D+01 -0.251778D+01
                31            32            33            34            35 
      1  -0.247832D+01 -0.221968D+01 -0.257631D+01 -0.149056D+01 -0.272459D+01
      2  -0.221968D+01  0.956054D+01 -0.311980D+00 -0.272459D+01 -0.880968D+00
      3  -0.257631D+01 -0.311980D+00  0.162450D+01 -0.417813D+01  0.378744D+01
                36            37            38            39            40 
      1  -0.417813D+01  0.444248D+01  0.182208D+01 -0.264232D+01 -0.226494D+01
      2   0.378744D+01  0.182208D+01  0.975526D+00 -0.102075D+01  0.101665D-01
      3   0.472250D+01 -0.264232D+01 -0.102075D+01  0.358302D+01 -0.192586D+01
                41            42            43            44            45 
      1   0.101665D-01 -0.192586D+01 -0.578337D+01 -0.117358D+01  0.247643D+01
      2   0.415386D+01  0.408008D+01 -0.117358D+01  0.363878D+01  0.292946D+00
      3   0.408008D+01 -0.173022D+01  0.247643D+01  0.292946D+00  0.446310D+00
                46            47            48            49            50 
      1  -0.355541D+01  0.151341D+01  0.504008D+01  0.377539D+01 -0.150935D+01
      2   0.151341D+01 -0.133663D+01  0.676951D+00 -0.150935D+01 -0.773921D+01
      3   0.504008D+01  0.676951D+00 -0.176642D+01  0.107656D+01  0.162504D+01
                51            52            53            54            55 
      1   0.107656D+01  0.778388D+01  0.118693D+01 -0.154751D+01  0.243504D+01
      2   0.162504D+01  0.118693D+01  0.251641D+01  0.157608D+01 -0.389442D+01
      3   0.123194D+01 -0.154751D+01  0.157608D+01 -0.278844D+01 -0.151836D+01
                56            57            58            59            60 
      1  -0.389442D+01 -0.151836D+01 -0.350853D+01  0.468578D+01 -0.169235D+01
      2   0.420477D+01 -0.151411D+01  0.468578D+01  0.322853D+01 -0.266801D+01
      3  -0.151411D+01 -0.169061D+01 -0.169235D+01 -0.266801D+01  0.305557D+01
                61            62            63            64            65 
      1  -0.170403D+01 -0.185715D+01 -0.182638D+01  0.172604D+00 -0.102071D+01
      2  -0.185715D+01 -0.334814D+01  0.159413D+01 -0.102071D+01 -0.245651D+01
      3  -0.182638D+01  0.159413D+01  0.342408D+01  0.353548D+01  0.398733D+01
                66            67            68            69            70 
      1   0.353548D+01  0.492394D+00 -0.196834D+01  0.463877D+01  0.296933D+01
      2   0.398733D+01 -0.196834D+01  0.123690D+01 -0.112884D+01  0.300141D+01
      3   0.803816D+00  0.463877D+01 -0.112884D+01 -0.885711D+00  0.109769D+01
                71            72            73            74            75 
      1   0.300141D+01  0.109769D+01  0.775897D+01  0.258588D+01  0.333015D+01
      2  -0.830230D+00 -0.145106D+01  0.258588D+01  0.127302D+01  0.133585D+01
      3  -0.145106D+01 -0.865694D+00  0.333015D+01  0.133585D+01  0.232274D+01
                76            77            78            79            80 
      1   0.185007D+01  0.130653D+01  0.944430D+00  0.343049D+01  0.170331D+01
      2   0.130653D+01  0.203144D+01  0.149572D+01  0.170331D+01  0.205267D+01
      3   0.944430D+00  0.149572D+01  0.131448D+01  0.220516D+01  0.829096D+00
                81            82            83            84            85 
      1   0.220516D+01  0.852614D+00  0.136788D+01 -0.350393D+00  0.137524D+01
      2   0.829096D+00  0.136788D+01  0.204747D+01 -0.263797D+00  0.107034D+01
      3   0.128247D+01 -0.350393D+00 -0.263797D+00 -0.132205D+00 -0.296817D+00
                86            87            88            89            90 
      1   0.107034D+01 -0.296817D+00 -0.801399D+00 -0.715484D+00 -0.136752D+00
      2   0.131802D+02 -0.857319D+00 -0.715484D+00 -0.371793D+01  0.207125D+01
      3  -0.857319D+00  0.101661D+01 -0.136752D+00  0.207125D+01 -0.815424D-01
                91            92            93            94            95 
      1  -0.117468D+01  0.690809D+00  0.135330D+01  0.154726D+00 -0.643749D+00
      2   0.690809D+00 -0.791553D+00 -0.117418D+01 -0.643749D+00  0.354761D+01
      3   0.135330D+01 -0.117418D+01 -0.179211D+01 -0.497177D+00  0.198603D+01
                96            97            98            99           100 
      1  -0.497177D+00  0.157665D+01 -0.142608D+01 -0.168328D+01  0.867242D+01
      2   0.198603D+01 -0.142608D+01  0.356754D+01  0.432173D+01 -0.939775D-01
      3   0.165229D+01 -0.168328D+01  0.432173D+01  0.808079D+01  0.208575D+01
               101           102           103           104           105 
      1  -0.939775D-01  0.208575D+01  0.296858D+01  0.523702D+00  0.659902D+00
      2   0.879606D+00  0.117374D+00  0.523702D+00  0.343070D+00  0.449880D+00
      3   0.117374D+00  0.160428D+01  0.659902D+00  0.449880D+00  0.475764D+00
               106           107           108           109           110 
      1   0.379147D+01 -0.167905D+00  0.212347D+01  0.221970D+01 -0.875232D+00
      2  -0.167905D+00  0.821581D+00 -0.196264D+00 -0.875232D+00  0.397708D+00
      3   0.212347D+01 -0.196264D+00  0.112766D+01 -0.155101D+01  0.933744D+00
               111           112           113           114           115 
      1  -0.155101D+01 -0.721272D+00  0.162727D+01  0.995773D+00 -0.356009D+01
      2   0.933744D+00  0.162727D+01 -0.309915D+01 -0.148586D+01  0.286489D+01
      3   0.167231D+01  0.995773D+00 -0.148586D+01 -0.158317D+01  0.343646D+01
               116           117           118           119           120 
      1   0.286489D+01  0.343646D+01 -0.398675D+00 -0.396690D+00  0.495375D+00
      2  -0.324537D+01 -0.352534D+01 -0.396690D+00 -0.196783D+01  0.432580D+00
      3  -0.352534D+01 -0.717738D+01  0.495375D+00  0.432580D+00 -0.112308D+00
               121           122           123           124           125 
      1  -0.192875D+01  0.182004D+01  0.334961D+00  0.100086D+01 -0.151301D+00
      2   0.182004D+01 -0.101827D+02  0.170728D+01 -0.151301D+00  0.319150D+01
      3   0.334961D+00  0.170728D+01 -0.149047D+01  0.677484D+00 -0.222363D+01
               126           127           128           129           130 
      1   0.677484D+00  0.421145D+00 -0.101935D+01 -0.859807D-01 -0.162914D+01
      2  -0.222363D+01 -0.101935D+01 -0.316687D+00  0.102622D+00  0.728994D+00
      3   0.566542D+00 -0.859807D-01  0.102622D+00 -0.182290D+00  0.387793D+00
               131           132           133           134           135 
      1   0.728994D+00  0.387793D+00 -0.605125D-01  0.500646D+00  0.836033D-01
      2  -0.765499D+01 -0.327785D+01  0.500646D+00 -0.285698D+01 -0.212008D+01
      3  -0.327785D+01 -0.219166D+01  0.836033D-01 -0.212008D+01 -0.221306D+01
               136           137           138           139           140 
      1  -0.701354D+00 -0.237162D+01 -0.435913D+01 -0.311089D+01  0.102242D+01
      2  -0.237162D+01  0.591761D+00  0.176929D+00  0.102242D+01  0.662969D+01
      3  -0.435913D+01  0.176929D+00  0.122339D+01  0.293578D+00 -0.261229D+01
               141           142           143           144           145 
      1   0.293578D+00 -0.442708D+01  0.921532D-01  0.135878D+01  0.107947D+01
      2  -0.261229D+01  0.921532D-01 -0.147409D+01 -0.189013D+01 -0.313910D+01
      3  -0.197605D+01  0.135878D+01 -0.189013D+01  0.241111D+01 -0.393719D+01
               146           147           148           149           150 
      1  -0.313910D+01 -0.393719D+01 -0.457776D+01  0.136583D+01 -0.234809D+00
      2  -0.543972D-01 -0.231774D+00  0.136583D+01  0.716088D+01 -0.100439D+01
      3  -0.231774D+00  0.133072D+01 -0.234809D+00 -0.100439D+01 -0.201277D+01
               151           152           153           154           155 
      1  -0.497521D+01 -0.105328D+00  0.212616D+01 -0.679630D+01  0.435805D+01
      2  -0.105328D+00 -0.136576D+01 -0.161747D+01  0.435805D+01 -0.408009D+01
      3   0.212616D+01 -0.161747D+01  0.448688D+01  0.763113D-01  0.268518D+00
               156           157           158           159           160 
      1   0.763113D-01  0.323189D+01 -0.341042D+01  0.362122D+00  0.294836D+00
      2   0.268518D+00 -0.341042D+01  0.425779D+01  0.871775D-01  0.278067D+00
      3  -0.719421D+00  0.362122D+00  0.871775D-01  0.447095D+00 -0.875760D+00
               161           162           163           164           165 
      1   0.278067D+00 -0.875760D+00 -0.394861D+01 -0.314348D+00 -0.319503D+01
      2   0.256810D+00  0.874943D+00 -0.314348D+00 -0.536918D+00 -0.226849D+00
      3   0.874943D+00 -0.236193D+00 -0.319503D+01 -0.226849D+00 -0.412603D+01
               166           167           168           169           170 
      1  -0.810223D+00 -0.588922D+00 -0.700334D+00 -0.258923D+01 -0.287334D+00
      2  -0.588922D+00 -0.388980D+00 -0.706630D+00 -0.287334D+00 -0.572555D+00
      3  -0.700334D+00 -0.706630D+00 -0.646541D+00 -0.324483D+01 -0.118132D-01
               171           172           173           174           175 
      1  -0.324483D+01  0.309203D+01  0.155893D+01 -0.264560D+01  0.124546D+01
      2  -0.118132D-01  0.155893D+01  0.188557D+01 -0.207318D+01  0.141146D+01
      3  -0.618022D+01 -0.264560D+01 -0.207318D+01  0.337305D+01 -0.161055D+01
               176           177           178           179           180 
      1   0.141146D+01 -0.161055D+01 -0.143864D+01 -0.958217D+00  0.152179D+01
      2   0.233023D+01 -0.193364D+01 -0.958217D+00 -0.116295D+01  0.176700D+01
      3  -0.193364D+01  0.259932D+01  0.152179D+01  0.176700D+01 -0.403504D+01
               181           182           183           184           185 
      1   0.515259D+01  0.789205D+00  0.118126D+01  0.146580D+01  0.295944D+00
      2   0.789205D+00  0.675187D+00 -0.571459D-01  0.295944D+00 -0.550449D+00
      3   0.118126D+01 -0.571459D-01  0.318038D+01  0.422035D-01  0.751446D+00
               186           187           188           189           190 
      1   0.422035D-01  0.115250D+01  0.299024D+00  0.186745D+01 -0.397910D+00
      2   0.751446D+00  0.299024D+00  0.909606D+00  0.342472D+00 -0.752087D+00
      3   0.122365D+01  0.186745D+01  0.342472D+00  0.191587D+01  0.889371D+00
               191           192           193           194           195 
      1  -0.752087D+00  0.889371D+00 -0.113995D+01 -0.105369D+01  0.413734D+00
      2  -0.382162D+00  0.112130D+00 -0.105369D+01 -0.827111D+01  0.325899D+01
      3   0.112130D+00 -0.467405D+00  0.413734D+00  0.325899D+01 -0.268482D+01
               196           197           198           199           200 
      1   0.414040D+00  0.644686D-01 -0.322186D+00 -0.468011D+01  0.834453D+00
      2   0.644686D-01  0.105429D+01 -0.115575D+01  0.834453D+00 -0.109077D+01
      3  -0.322186D+00 -0.115575D+01  0.986035D+00  0.361635D+01 -0.361730D+00
               201           202           203           204           205 
      1   0.361635D+01  0.192556D+01 -0.101293D+01 -0.125519D+01  0.245155D+01
      2  -0.361730D+00 -0.101293D+01  0.252327D+00  0.114068D+01 -0.436361D+00
      3  -0.403195D+01 -0.125519D+01  0.114068D+01  0.205022D+01 -0.262218D+01
               206           207           208           209           210 
      1  -0.436361D+00 -0.262218D+01 -0.773505D+00  0.636432D+00 -0.123683D+01
      2   0.779623D+00  0.675553D+00  0.636432D+00  0.334739D-01 -0.954375D-01
      3   0.675553D+00  0.384957D+01 -0.123683D+01 -0.954375D-01 -0.137777D+01
               211           212           213           214           215 
      1   0.134105D+01 -0.168683D+00  0.792447D-01 -0.269650D+01 -0.610239D+00
      2  -0.168683D+00 -0.210841D+00 -0.761878D+00 -0.610239D+00 -0.119842D+01
      3   0.792447D-01 -0.761878D+00  0.875025D+00 -0.236045D+01  0.319640D+00
               216           217           218           219           220 
      1  -0.236045D+01 -0.826929D+01  0.677391D+00  0.216902D+01  0.346602D+01
      2   0.319640D+00  0.677391D+00 -0.100816D+01 -0.267723D+00 -0.127869D+01
      3  -0.669704D+01  0.216902D+01 -0.267723D+00 -0.152087D+01 -0.603481D+00
               221           222           223           224           225 
      1  -0.127869D+01 -0.603481D+00  0.457454D+01 -0.757264D-01 -0.205133D+01
      2   0.103494D+00  0.542821D+00 -0.757264D-01  0.923664D+00  0.392565D+00
      3   0.542821D+00  0.894139D+00 -0.205133D+01  0.392565D+00  0.134726D+01
               226           227           228           229           230 
      1  -0.842575D+00 -0.723124D+00  0.377321D+00 -0.235638D+01 -0.300815D+01
      2  -0.723124D+00 -0.240379D+00  0.555458D-01 -0.300815D+01 -0.928492D+01
      3   0.377321D+00  0.555458D-01 -0.590678D-01 -0.111484D+00  0.248718D+00
               231           232           233           234 
      1  -0.111484D+00  0.905387D+00  0.329805D+00 -0.606867D+00
      2   0.248718D+00  0.329805D+00  0.863049D+00 -0.856098D+00
      3  -0.103163D+01 -0.606867D+00 -0.856098D+00 -0.947619D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.146465D+01  0.153012D+01  0.120819D+00  0.287685D+01  0.929618D+01
      2   0.291378D+01 -0.178871D+01 -0.280031D+01  0.822192D+00  0.946315D+01
      3  -0.208427D+01 -0.553027D+01  0.128958D+01  0.125814D+01 -0.443724D+02
                 6             7             8             9            10 
      1  -0.180901D+01  0.961428D+00  0.483988D+01  0.171119D+00 -0.856380D+00
      2   0.106423D+02 -0.101340D+02  0.146221D+02  0.165655D+02 -0.613106D+00
      3  -0.126642D+02  0.146865D+01 -0.101039D+02 -0.142890D+02  0.332324D+01
                11            12            13            14            15 
      1  -0.707705D+01 -0.392214D+01 -0.363153D+01 -0.158418D+02  0.216352D+00
      2   0.229747D+01  0.250032D+01 -0.374241D+00 -0.435779D+01 -0.167360D+01
      3  -0.410498D+01 -0.276218D+01  0.469015D+01  0.840995D+01  0.586656D+01
                16            17            18            19            20 
      1  -0.573283D+01  0.165881D+02  0.134544D+02 -0.138628D+01 -0.176743D+01
      2  -0.629415D+00 -0.267718D+01 -0.538718D+01 -0.641600D-01  0.558832D+01
      3  -0.880217D+00  0.949291D+01  0.108760D+02  0.981011D+01 -0.642774D+01
                21            22            23            24            25 
      1  -0.367773D+00 -0.234701D+01 -0.118831D+02 -0.207641D+01 -0.271536D+01
      2   0.129213D+01  0.448123D+01 -0.111695D+02 -0.119470D+02 -0.581876D+01
      3  -0.450415D+01  0.320992D+01  0.432828D+02  0.139873D+02 -0.260973D+01
                26            27            28            29            30 
      1   0.464946D+01  0.284548D+01 -0.145921D+01 -0.557887D+01 -0.455525D+01
      2  -0.108159D+02 -0.163792D+02 -0.524293D+01 -0.887761D+01 -0.577555D+01
      3   0.140344D+02  0.113995D+02  0.108849D+02 -0.186466D+01  0.101096D+02
                31            32            33            34            35 
      1  -0.300253D+01 -0.617558D+01  0.209421D+01 -0.977638D+01  0.132304D+02
      2  -0.811723D+01 -0.277261D+01  0.387425D+01 -0.157002D+02  0.133152D+02
      3   0.127041D+02 -0.288398D+02  0.542610D+01  0.103828D+02  0.103621D+02
                36            37            38            39            40 
      1   0.937854D+01 -0.885524D+00  0.278104D+00  0.491854D+01 -0.447053D+01
      2   0.145970D+02  0.820623D+01  0.295953D+01  0.333151D+01 -0.315653D+01
      3  -0.408315D+01 -0.135066D+02 -0.806915D+01 -0.790592D+00  0.806532D+01
                41            42            43            44            45 
      1   0.118775D+01 -0.112833D+02  0.773456D+01  0.161539D+00  0.486164D+01
      2   0.267941D+01 -0.486902D+01 -0.933445D+01 -0.418418D+01  0.426270D+01
      3   0.213827D+01  0.287547D+01  0.481392D+01 -0.195106D+00 -0.634573D+01
                46            47            48            49            50 
      1   0.453934D+01 -0.197425D+00 -0.220377D+01 -0.802678D+00 -0.143974D+01
      2  -0.132606D+02 -0.308253D+01  0.653737D+01  0.662257D+00 -0.177984D+01
      3   0.118357D+02 -0.498019D+01 -0.168461D+01 -0.271415D+01 -0.155093D+02
                51            52            53            54            55 
      1  -0.196450D+01 -0.242011D+01  0.686232D+01 -0.303557D+01  0.288784D+01
      2  -0.967236D+00 -0.484002D+00 -0.342200D+01  0.697716D+01  0.268315D+01
      3   0.243077D+01 -0.723993D+01  0.221695D+01  0.508522D+01 -0.411927D+01
                56            57            58            59            60 
      1   0.248638D+01  0.636551D+01  0.313050D+01  0.399478D+01 -0.673853D+01
      2   0.181306D+01  0.438177D+01  0.160673D+01  0.264615D+01 -0.362523D+01
      3  -0.561026D+01 -0.369611D+01  0.348271D+01  0.122421D+02 -0.541197D+01
                61            62            63            64            65 
      1   0.472138D+01  0.279974D+00 -0.888339D+01 -0.220914D+01  0.319721D+01
      2  -0.187795D+01 -0.260901D+01 -0.516873D+01 -0.163365D+01 -0.457757D+01
      3  -0.538443D+01 -0.657389D+01 -0.142542D+01  0.208085D+01 -0.437855D+01
                66            67            68            69            70 
      1  -0.128634D+02  0.632348D+01 -0.178431D+01  0.751557D+01 -0.106908D+02
      2   0.101495D+02 -0.133928D+01 -0.470335D+01  0.145839D+02  0.303626D+01
      3   0.660374D+01 -0.197842D+01 -0.207408D+01 -0.112732D+01  0.491550D+01
                71            72            73            74            75 
      1   0.803275D+01  0.287498D+01 -0.201537D+01  0.313863D+00 -0.293154D+01
      2   0.921680D+01  0.447510D+01 -0.483487D+00  0.115542D+01  0.580959D+01
      3   0.503238D+00  0.943225D+00  0.522225D+01 -0.206815D+01  0.140102D+01
                76            77            78            79            80 
      1  -0.350709D+00 -0.685607D+00 -0.116993D+01 -0.171995D+01  0.276777D+01
      2  -0.930363D-01  0.292519D+01  0.282661D+01  0.323676D+00 -0.156359D+01
      3   0.131831D+01 -0.230853D+01 -0.158068D+01  0.128880D+01 -0.412301D+01
                81            82            83            84            85 
      1  -0.115729D+01  0.163729D+01  0.254320D+01 -0.512437D-01  0.459727D+00
      2   0.102680D+01 -0.690565D+00 -0.385189D+00  0.142570D+01 -0.114311D+01
      3   0.148467D+01  0.211718D+01  0.118305D+01 -0.709049D+00  0.706750D+01
                86            87            88            89            90 
      1   0.124015D+02 -0.622885D+01  0.578308D+00 -0.725921D+01  0.245430D+01
      2   0.122149D+01  0.761285D+00 -0.564403D+00  0.839651D+00  0.313456D+00
      3  -0.511171D+01 -0.491252D+00 -0.280839D+01 -0.330470D+00 -0.181682D+01
                91            92            93            94            95 
      1  -0.296326D+01  0.174563D+01  0.402319D+01  0.428960D+00 -0.293390D+00
      2   0.210754D+01 -0.114139D+01 -0.855825D+00 -0.805972D+00  0.209307D+01
      3  -0.428569D+01  0.435907D+00  0.397833D+01  0.209028D+01 -0.388515D+01
                96            97            98            99           100 
      1  -0.274972D+01  0.315558D+01 -0.421755D+01 -0.170576D+02  0.368478D+01
      2   0.706594D+00 -0.547616D+01  0.285415D+01  0.415582D+01  0.736600D+01
      3  -0.258218D+01  0.755838D+01 -0.610408D+01 -0.696970D+01 -0.124284D+02
               101           102           103           104           105 
      1   0.934708D+00  0.258774D+01  0.791213D+00  0.118538D+01 -0.140909D+00
      2   0.348170D+00  0.787640D+01  0.189099D+01  0.141582D+01  0.214695D+01
      3  -0.553055D+01 -0.384951D+01 -0.332054D+01 -0.272014D+01 -0.228583D+01
               106           107           108           109           110 
      1   0.275800D+01  0.686062D+00  0.131207D+01 -0.238091D+01  0.153845D+01
      2   0.487214D+01  0.167458D-01  0.455687D+01 -0.305243D+01  0.239689D+01
      3  -0.513192D+01 -0.369414D+01 -0.218387D+01 -0.725217D+00 -0.201736D+01
               111           112           113           114           115 
      1   0.326787D+01  0.172409D+01 -0.759757D+00 -0.347871D+01  0.570918D+01
      2   0.524437D+01  0.249011D+01 -0.384647D+01 -0.468722D+01  0.608707D+01
      3  -0.117443D+01 -0.218448D+01  0.732927D+01  0.276933D+01 -0.181377D+01
               116           117           118           119           120 
      1  -0.383631D+01 -0.122563D+02  0.525112D+00  0.195979D+01 -0.437416D+00
      2  -0.883259D+01 -0.205947D+02  0.141428D+01  0.215930D+01  0.428544D+00
      3   0.570419D+01  0.511703D+01  0.231500D+01  0.556099D+01 -0.243288D+01
               121           122           123           124           125 
      1  -0.527881D+00  0.580778D+01 -0.562467D+01  0.132532D+01 -0.425057D+01
      2   0.132947D+01  0.483753D+01 -0.446511D+01  0.456166D+00 -0.553515D+01
      3   0.425361D+00  0.284291D+02 -0.590777D+01 -0.225380D+01 -0.100450D+02
               126           127           128           129           130 
      1   0.189678D+01  0.119025D+01 -0.316434D+00 -0.184310D+00 -0.515426D+00
      2   0.199061D+01  0.933807D+00 -0.918441D+00  0.107666D+01 -0.287245D+01
      3   0.540900D+01 -0.641975D+00 -0.298278D+00 -0.204319D+00  0.571774D+01
               131           132           133           134           135 
      1   0.568980D+01 -0.255552D+01 -0.215797D+00  0.324439D+01 -0.957142D+00
      2   0.693838D+00  0.879728D-01 -0.231934D+01  0.424947D-01 -0.598431D+00
      3   0.479360D+00 -0.390689D-01  0.962727D+00  0.491486D+00  0.197164D+00
               136           137           138           139           140 
      1  -0.112447D+02  0.816017D+00  0.210794D+01  0.331056D+01  0.136103D+02
      2   0.111244D+02  0.483400D+01  0.107765D+02  0.600246D+01  0.107937D+01
      3  -0.350907D+01  0.472097D+00  0.491141D+01  0.651528D+01  0.874477D+01
               141           142           143           144           145 
      1  -0.121410D+02  0.934885D+00 -0.399830D+01 -0.270138D+01 -0.269788D+01
      2   0.160447D+01  0.601065D+01  0.337128D+01 -0.453924D+01  0.116784D+02
      3  -0.406470D+01  0.423528D+01 -0.245782D+01 -0.380614D+01 -0.136886D+02
               146           147           148           149           150 
      1   0.284972D+00  0.241102D+01 -0.567126D+00 -0.350420D+01 -0.392831D+01
      2  -0.141154D+01 -0.497187D+01 -0.299601D+01  0.262273D+01  0.570863D+01
      3   0.285913D+01  0.411083D+01  0.123662D+02  0.219039D+02 -0.246352D+01
               151           152           153           154           155 
      1   0.411646D+01  0.511402D+00  0.774833D+01 -0.123887D+01  0.610055D+00
      2  -0.138940D+02  0.412974D+01 -0.161258D+02 -0.125305D+01  0.801766D+00
      3   0.534465D+01 -0.308166D+01 -0.781717D+01 -0.742413D+01 -0.166062D+01
               156           157           158           159           160 
      1   0.287092D+01  0.422029D+00 -0.152219D+01 -0.326367D+01  0.128748D+01
      2   0.371698D+01  0.348518D+00 -0.102309D+01 -0.219710D+01 -0.539942D-01
      3   0.239023D+00  0.411296D+01  0.853790D+00  0.627631D+00  0.509183D+00
               161           162           163           164           165 
      1  -0.289493D+00  0.400685D+00  0.350232D+01  0.390694D+01  0.424610D+01
      2  -0.789392D+00  0.155105D+00 -0.102346D+02 -0.140659D+01 -0.346607D+01
      3   0.115891D+01 -0.356019D+00 -0.313150D+01 -0.281186D+01 -0.240050D+01
               166           167           168           169           170 
      1   0.169533D+01  0.173492D+01  0.388571D+00  0.358972D+01  0.347823D+01
      2  -0.220064D+01 -0.722993D+00 -0.174540D+01 -0.722442D+01 -0.146762D+01
      3   0.642084D+00 -0.513051D-01 -0.546999D+00 -0.156796D+01 -0.191101D+01
               171           172           173           174           175 
      1   0.356442D+01 -0.154464D+01 -0.454250D+01  0.561447D+00 -0.239691D+01
      2  -0.288509D+01  0.930178D+01  0.358458D+01 -0.408503D+01  0.436400D+01
      3  -0.155533D+01  0.450231D+01  0.451643D+00 -0.250260D+01  0.401362D+01
               176           177           178           179           180 
      1  -0.361402D+01 -0.319066D+00  0.104133D+01  0.281904D+01 -0.579830D+00
      2   0.354822D+01 -0.397579D+01 -0.536617D+01 -0.312645D+01  0.375102D+01
      3   0.859866D+00 -0.206076D+01 -0.258149D+01 -0.203534D+00  0.216625D+01
               181           182           183           184           185 
      1   0.557721D+01  0.310023D+01  0.150210D+01  0.229135D+01  0.251915D+00
      2  -0.199420D+02 -0.351627D+01 -0.222032D+01 -0.565431D+01 -0.152744D+01
      3  -0.277277D+01 -0.158213D+01 -0.116570D+01  0.714057D+00 -0.396409D+00
               186           187           188           189           190 
      1   0.140594D+01  0.246865D+01  0.358193D+01  0.212951D+01 -0.284927D+00
      2  -0.435011D+00 -0.516545D+01 -0.162450D+01 -0.591991D+01 -0.631333D+00
      3   0.181869D+00 -0.905318D+00 -0.828121D+00 -0.405055D+00 -0.645352D+00
               191           192           193           194           195 
      1  -0.767981D+00 -0.601926D+00 -0.171818D+01 -0.157461D+02  0.665483D+00
      2   0.945730D+00 -0.327361D+00  0.296030D+01 -0.221391D+01  0.284815D+01
      3  -0.689918D+00 -0.514702D+00  0.310254D+01 -0.975214D+01  0.377813D+01
               196           197           198           199           200 
      1  -0.359920D-01  0.308948D+01 -0.148435D+01  0.544561D+01 -0.457730D+01
      2  -0.155483D+01  0.753747D+00 -0.561454D+00  0.613414D+01 -0.181759D+01
      3  -0.540927D+00  0.126030D+01 -0.103625D+01  0.434930D+01 -0.430776D+01
               201           202           203           204           205 
      1  -0.418503D+01 -0.292698D+01  0.236091D+01  0.300280D+01 -0.350955D+01
      2   0.308241D+00 -0.292756D+01  0.557033D-03 -0.128904D+01 -0.477255D+01
      3  -0.352159D+01 -0.159602D+01  0.185476D+01  0.245809D+01 -0.253757D+01
               206           207           208           209           210 
      1   0.389821D+01  0.484251D+01 -0.235473D+01 -0.114119D+00 -0.101954D+01
      2   0.165752D+00 -0.162061D+00  0.384735D+01  0.149492D+01  0.342061D+01
      3   0.232596D+01  0.324769D+01  0.257614D+01 -0.950436D+00  0.816179D+00
               211           212           213           214           215 
      1  -0.441791D+00 -0.113487D+01  0.123421D+01 -0.112954D+01  0.435509D+01
      2   0.215442D+01  0.267411D+01 -0.381781D+01  0.786809D+00 -0.300527D+01
      3  -0.345269D+00  0.225513D+00 -0.222951D+01  0.644141D+00 -0.420567D+01
               216           217           218           219           220 
      1  -0.859570D+01  0.229611D+01 -0.657674D+00 -0.149180D+01 -0.463028D+00
      2   0.206966D+02 -0.911986D+01  0.129657D+01  0.880294D+01  0.276482D+01
      3   0.409293D+01  0.116965D+02 -0.657203D+01 -0.343939D+01 -0.559238D+01
               221           222           223           224           225 
      1   0.847669D+00 -0.257209D+00 -0.208318D+01  0.114743D+01  0.751007D+00
      2  -0.213466D+01 -0.383793D+01  0.618000D+01 -0.125699D+01 -0.557064D+01
      3   0.247150D+01  0.229227D+01 -0.500926D+01  0.432341D+01  0.364748D+01
               226           227           228           229           230 
      1   0.771272D+00  0.351086D+00 -0.168096D+00  0.474692D+00  0.365428D+01
      2  -0.125566D+01 -0.390753D+00  0.137841D+01 -0.197109D+00 -0.164902D+01
      3  -0.158592D+01 -0.163865D+01 -0.469929D+00 -0.218922D+01 -0.243660D+02
               231           232           233           234 
      1  -0.474906D+01 -0.517507D+00 -0.241249D+00  0.385348D+00
      2   0.374144D+01  0.104151D+01  0.174424D+01  0.137137D+00
      3   0.993825D+00 -0.859347D+00  0.198347D+01 -0.157653D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.145162D+02  0.322064D+01 -0.229692D+01  0.627758D+01 -0.267533D+02
      2   0.967932D+01 -0.113022D+00  0.252827D+01  0.100005D+01  0.329877D+02
      3   0.483691D+01 -0.310762D+01 -0.231355D+00 -0.727762D+01 -0.623446D+01
      4  -0.575014D+01  0.203502D+01 -0.119450D+02 -0.150713D+01  0.540408D+02
      5  -0.172625D+02 -0.789584D+01 -0.502980D+01 -0.124863D+02  0.492259D+01
      6  -0.579378D+01 -0.793381D+01 -0.534869D+01 -0.535311D+01  0.702566D+01
                 6             7             8             9            10 
      1  -0.130822D+02 -0.370230D+01 -0.146772D+02 -0.194070D+02  0.979030D+00
      2   0.974922D+01  0.221915D+01  0.181209D+01  0.235714D+01  0.317753D+01
      3   0.333296D+01  0.148314D+01  0.128651D+02  0.170499D+02 -0.415656D+01
      4   0.466504D+01 -0.198091D+02  0.292248D+01  0.119765D+02 -0.195874D+01
      5   0.660405D+01 -0.413973D+01  0.771103D+01  0.104870D+02  0.210189D+01
      6   0.794603D+01 -0.360917D+01  0.119585D+02  0.619549D+01  0.213174D+01
                11            12            13            14            15 
      1  -0.402294D+01 -0.100398D+02  0.232731D+01  0.394860D+02  0.234484D+01
      2  -0.452112D+01  0.101599D+02 -0.639985D+01 -0.582892D+02  0.664340D+01
      3   0.854406D+01 -0.120081D+00  0.407254D+01  0.188032D+02 -0.898824D+01
      4   0.331661D+01  0.424060D+01  0.892877D+01 -0.180852D+02  0.465034D+01
      5   0.154623D+01 -0.186390D+01  0.343595D+01  0.311366D+00  0.267537D+01
      6   0.155743D+02  0.128333D+02  0.692690D+01  0.557538D+01 -0.598063D+01
                16            17            18            19            20 
      1  -0.105708D+02 -0.118267D+01  0.206259D+02  0.142875D+02 -0.474842D+00
      2   0.624958D+01  0.230306D+02 -0.708536D+01 -0.125120D+02 -0.182437D+01
      3   0.432124D+01 -0.218480D+02 -0.135405D+02 -0.177550D+01  0.229921D+01
      4   0.463694D+01  0.852001D+01  0.435193D+01 -0.366344D+01  0.480706D+01
      5   0.366657D+00  0.566439D+01  0.672985D+01  0.123915D+01  0.809615D+01
      6   0.126190D+02 -0.198558D+02 -0.261403D+02 -0.270175D+01 -0.593501D+01
                21            22            23            24            25 
      1   0.483382D+01  0.165655D+01  0.108348D+02  0.116884D+02 -0.246895D+01
      2  -0.341923D+01 -0.201265D+01 -0.760779D+01 -0.172102D+01 -0.607743D+00
      3  -0.141459D+01  0.356100D+00 -0.322702D+01 -0.996739D+01  0.307670D+01
      4   0.521164D+01 -0.119099D+01 -0.554363D+02 -0.156308D+02 -0.283268D+01
      5   0.521417D+01  0.462191D+01 -0.105995D+02 -0.116719D+02  0.140491D+02
      6  -0.239987D+00 -0.870260D+00 -0.807341D+01 -0.170923D+01 -0.802377D+00
                26            27            28            29            30 
      1   0.971682D+01  0.114036D+02 -0.317552D+02 -0.292981D+01 -0.159373D+02
      2  -0.101737D+02 -0.128406D+02  0.252427D+02 -0.585976D+01  0.102726D+02
      3   0.456848D+00  0.143706D+01  0.651244D+01  0.878957D+01  0.566465D+01
      4  -0.176349D+02 -0.134067D+02 -0.442034D+01  0.340387D+01 -0.103564D+02
      5  -0.109138D+02 -0.146156D+02 -0.116868D+02 -0.142321D+02 -0.158532D+02
      6   0.405331D+01 -0.556365D+01  0.198294D+01  0.853686D+01  0.696523D+01
                31            32            33            34            35 
      1  -0.165186D+02  0.131594D+02 -0.167259D+02 -0.190561D+02 -0.209871D+02
      2   0.703735D+01 -0.251740D+02  0.163199D+02  0.760617D+01  0.255590D+02
      3   0.948128D+01  0.120146D+02  0.405970D+00  0.114499D+02 -0.457187D+01
      4  -0.205366D+01  0.367037D+02  0.170220D+01 -0.123899D+02  0.362318D+00
      5  -0.135607D+02 -0.462607D+01  0.986540D+01 -0.263053D+02  0.244091D+02
      6   0.247005D+01  0.123816D+02 -0.786671D+01  0.127995D+02 -0.172383D+02
                36            37            38            39            40 
      1  -0.135152D+02 -0.126089D+02 -0.381571D+01  0.140070D+01 -0.126571D+02
      2   0.101964D+02  0.884668D+01  0.316223D+01 -0.247058D+01  0.681177D+00
      3   0.331879D+01  0.376219D+01  0.653483D+00  0.106988D+01  0.119759D+02
      4   0.214622D+02  0.592748D+01  0.214122D+01  0.469556D+01  0.147031D+01
      5   0.305848D+02  0.388815D+01 -0.309551D+00  0.724745D-01 -0.531750D+00
      6  -0.171406D+02  0.680024D+01 -0.429206D-01  0.333499D+01 -0.439255D+00
                41            42            43            44            45 
      1   0.202305D+02  0.332942D+01  0.906900D+01  0.112946D+02  0.969123D+00
      2  -0.115650D+02 -0.967492D+01 -0.247414D+01 -0.136890D+02  0.430178D+01
      3  -0.866548D+01  0.634550D+01 -0.659486D+01  0.239446D+01 -0.527091D+01
      4  -0.735470D+01 -0.147848D+01  0.919144D+01 -0.128594D+00  0.140014D+01
      5   0.115334D+01  0.504437D+01 -0.504967D+01  0.108842D+01 -0.119214D+01
      6  -0.120532D+02 -0.179685D+02 -0.541222D+00 -0.105754D+02  0.383778D+01
                46            47            48            49            50 
      1  -0.641868D+00 -0.861677D+01 -0.142902D+02 -0.108363D+02 -0.424376D+01
      2  -0.643227D+01  0.211841D+01  0.104992D+02  0.851745D+01  0.356359D+01
      3   0.707413D+01  0.649836D+01  0.379099D+01  0.231881D+01  0.680166D+00
      4  -0.151766D+02  0.228032D+01 -0.921935D+01  0.470413D+01  0.181657D+02
      5  -0.169792D+02 -0.470424D+01  0.729446D+01  0.636291D+00 -0.612307D+01
      6  -0.964454D+01 -0.101431D+00  0.134934D+01 -0.829473D+00 -0.373489D+01
                51            52            53            54            55 
      1  -0.604653D+01 -0.200312D+02 -0.827973D+01  0.103618D+02 -0.918919D+01
      2  -0.211702D+01  0.107101D+02  0.355701D+01 -0.449449D+01 -0.524271D+01
      3   0.816355D+01  0.932103D+01  0.472272D+01 -0.586735D+01  0.144319D+02
      4  -0.799619D+01 -0.800542D+01 -0.876638D+01  0.207351D+01  0.212607D+02
      5  -0.443485D+01  0.968421D+01 -0.104640D+01  0.475131D+01  0.313891D+00
      6   0.712755D+01  0.513952D+01 -0.814759D+00  0.329895D+01  0.117193D+01
                56            57            58            59            60 
      1   0.814232D+01  0.335455D+01  0.378145D+01 -0.129644D+02  0.327954D+01
      2   0.463507D+01 -0.106452D+02  0.394671D+01  0.946009D+01 -0.863088D+00
      3  -0.127774D+02  0.729070D+01 -0.772816D+01  0.350429D+01 -0.241645D+01
      4  -0.239066D+02  0.160896D+01 -0.214931D+02  0.606533D+01  0.319259D+01
      5   0.193762D+01  0.609554D+00 -0.169130D+01  0.235166D+01  0.389720D+00
      6  -0.969333D+01 -0.619407D+01 -0.589933D+01  0.282664D+01 -0.100669D+00
                61            62            63            64            65 
      1   0.111602D+01  0.632671D+01  0.219160D+01  0.794112D+01  0.862851D+01
      2  -0.601071D+01 -0.798189D+01  0.842602D+01  0.661621D+01  0.172410D+01
      3   0.489470D+01  0.165518D+01 -0.106176D+02 -0.145573D+02 -0.103526D+02
      4   0.434982D+01  0.446527D+01 -0.795402D+01 -0.411515D+01 -0.162296D+00
      5   0.307463D+01 -0.222127D+01 -0.139337D+01 -0.334211D+01  0.355522D+01
      6  -0.551888D+01  0.569740D+01  0.684891D+01  0.703946D+01  0.148561D+02
                66            67            68            69            70 
      1  -0.353933D+01  0.130591D+02 -0.263268D+01 -0.187913D+01  0.943139D+00
      2   0.150853D+02  0.406996D+01 -0.267080D+01 -0.252553D+01  0.110274D+02
      3  -0.115459D+02 -0.171290D+02  0.530348D+01  0.440466D+01 -0.119705D+02
      4   0.260363D+01  0.291427D+01 -0.274395D+01  0.870768D+01 -0.291511D+01
      5  -0.184087D+02  0.140362D+01  0.593491D+01 -0.139953D+02 -0.133570D+02
      6  -0.109652D+02  0.134600D+02 -0.556710D+01  0.549653D+01 -0.499955D+01
                71            72            73            74            75 
      1  -0.685297D+01 -0.516753D+01  0.344054D+02  0.953554D+01  0.105257D+02
      2   0.452670D+01 -0.204042D+01 -0.191890D+02 -0.443651D+01 -0.921546D+01
      3   0.232627D+01  0.720794D+01 -0.152164D+02 -0.509903D+01 -0.131027D+01
      4   0.539989D+01 -0.339810D-01  0.268053D+02  0.147428D+02  0.118931D+02
      5  -0.618958D+01 -0.480122D+01  0.236507D+02  0.926973D+01  0.169424D+02
      6   0.565703D-01  0.937682D+00  0.804777D+01  0.524407D+01  0.583430D+01
                76            77            78            79            80 
      1   0.433565D+01  0.307893D+00 -0.454899D+00  0.120238D+02  0.357065D+01
      2  -0.715757D+00  0.251849D+01  0.287231D+00 -0.815882D+01  0.748673D+00
      3  -0.361990D+01 -0.282638D+01  0.167668D+00 -0.386495D+01 -0.431933D+01
      4   0.128580D+02  0.118232D+02  0.869603D+01  0.140978D+02  0.131270D+02
      5   0.634668D+01  0.781894D+01  0.662790D+01  0.148741D+02  0.525123D+01
      6   0.491541D+01  0.657009D+01  0.564492D+01  0.599224D+01  0.489277D+01
                81            82            83            84            85 
      1   0.546159D+01 -0.121516D+01 -0.481872D+01  0.386774D+00 -0.217832D+01
      2  -0.526943D+01  0.668293D+01  0.121432D+02 -0.595090D+00  0.743480D+01
      3  -0.192156D+00 -0.546777D+01 -0.732448D+01  0.208315D+00 -0.525648D+01
      4   0.792180D+01  0.564691D+01  0.137565D+02 -0.141511D+01  0.789023D+01
      5   0.102928D+02 -0.285743D+00  0.506743D+00  0.232576D+01 -0.129466D-01
      6   0.502957D+01 -0.147382D+01 -0.110991D+01 -0.149986D+00 -0.439244D+00
                86            87            88            89            90 
      1  -0.453986D+02  0.230280D+01  0.146502D+01  0.122378D+02 -0.756456D+01
      2   0.816760D+02 -0.620375D+01 -0.222851D+01 -0.243237D+02  0.814730D+01
      3  -0.362774D+02  0.390095D+01  0.763490D+00  0.120859D+02 -0.582741D+00
      4   0.197105D+02 -0.199213D+01 -0.314554D+01 -0.584771D+01  0.203280D+01
      5   0.180730D+00  0.554339D+00  0.154374D+01  0.756974D+00 -0.153003D+01
      6  -0.522155D+01  0.838172D+01 -0.606630D+00  0.140618D+02 -0.224450D+01
                91            92            93            94            95 
      1  -0.199600D+01  0.347725D+01  0.529044D+01  0.139069D+01 -0.142261D+02
      2  -0.149309D+01 -0.184377D+01 -0.220746D+01 -0.140998D+01  0.152627D+02
      3   0.348909D+01 -0.163348D+01 -0.308298D+01  0.192920D-01 -0.103660D+01
      4  -0.329062D+01  0.501203D+01  0.478451D+01  0.123318D+01  0.789544D+00
      5  -0.303414D+01  0.331478D+01  0.677330D+01  0.831159D+00 -0.784137D+00
      6   0.588964D+01 -0.667171D+01 -0.833062D+01 -0.318645D+01  0.111880D+02
                96            97            98            99           100 
      1  -0.821785D+01  0.703847D+01 -0.175588D+02 -0.271129D+02  0.676243D+02
      2   0.595348D+01 -0.147811D+01  0.755538D+01  0.186747D+01 -0.375298D+02
      3   0.226437D+01 -0.556037D+01  0.100034D+02  0.252454D+02 -0.300944D+02
      4  -0.126605D+01  0.361798D+01 -0.186173D+01 -0.210932D+01 -0.102181D+02
      5  -0.117151D+01  0.551653D+01 -0.295490D+01 -0.427099D+01  0.165025D+02
      6   0.129702D+02 -0.771246D+01  0.263874D+02  0.382934D+02 -0.531141D+01
               101           102           103           104           105 
      1   0.212944D+01  0.154246D+02  0.204458D+02  0.365816D+01  0.479849D+01
      2  -0.307271D+01 -0.952865D+01 -0.120599D+02 -0.992528D+00 -0.423651D+01
      3   0.943262D+00 -0.589597D+01 -0.838587D+01 -0.266563D+01 -0.561978D+00
      4   0.856895D+01 -0.203754D+01  0.453722D+01  0.337950D+01  0.254993D+01
      5   0.275771D+00  0.143547D+02  0.493020D+01  0.309414D+01  0.392154D+01
      6  -0.178609D+00 -0.484775D+01 -0.606614D+00 -0.857725D+00  0.729888D+00
               106           107           108           109           110 
      1   0.261030D+02  0.840880D+00  0.114326D+02  0.142193D+02 -0.494499D+01
      2  -0.161318D+02 -0.315989D+01 -0.961459D+01 -0.994469D+01  0.314947D+01
      3  -0.997114D+01  0.231901D+01 -0.181800D+01 -0.427461D+01  0.179552D+01
      4  -0.507537D+01  0.522008D+01 -0.276088D+01 -0.888723D+01  0.613122D+01
      5   0.173893D+02 -0.940225D+00  0.981093D+01 -0.118500D+02  0.742342D+01
      6  -0.431576D+01  0.247813D+01 -0.180583D+01  0.497676D+01 -0.364292D+01
               111           112           113           114           115 
      1  -0.745736D+01 -0.180901D+01 -0.725388D+00  0.157836D+01 -0.153628D+02
      2   0.525187D+01 -0.381405D+00  0.500295D+01 -0.541954D-01  0.117441D+02
      3   0.220548D+01  0.219041D+01 -0.427756D+01 -0.152416D+01  0.361875D+01
      4   0.813081D+01  0.106080D+02 -0.163881D+02 -0.936982D+01  0.198118D+02
      5   0.148800D+02  0.641580D+01 -0.841368D+01 -0.975879D+01  0.262924D+02
      6  -0.558208D+01 -0.412238D+01  0.505741D+01  0.985421D+01 -0.117383D+02
               116           117           118           119           120 
      1   0.642560D+01  0.412550D+01 -0.825769D+00 -0.884609D+01  0.397508D+01
      2  -0.484607D+01 -0.134854D+02  0.142362D+01  0.108447D+02 -0.246370D+01
      3  -0.157952D+01  0.935991D+01 -0.597855D+00 -0.199860D+01 -0.151138D+01
      4  -0.198255D+02 -0.203506D+02 -0.133307D-01 -0.233949D+01  0.189293D+00
      5  -0.222020D+02 -0.445757D+02  0.185528D+01  0.179493D+01  0.140474D+01
      6   0.165341D+02  0.243624D+02 -0.166668D+01 -0.315415D+01  0.116352D+01
               121           122           123           124           125 
      1  -0.774651D+01 -0.208928D+02  0.747590D+01  0.543939D+01  0.101015D+02
      2   0.632825D+00  0.434301D+02 -0.964809D+01 -0.110581D+01 -0.158398D+02
      3   0.711368D+01 -0.225373D+02  0.217218D+01 -0.433358D+01  0.573835D+01
      4   0.143895D+02 -0.436304D+02  0.703329D+01 -0.358932D+01  0.135826D+02
      5   0.405942D+00  0.101499D+02 -0.868418D+01  0.618068D+01 -0.122020D+02
      6   0.211875D+01 -0.155585D+02  0.991796D+01 -0.323708D+01  0.143260D+02
               126           127           128           129           130 
      1  -0.348659D+01  0.503279D+00 -0.950567D+00 -0.327087D+00  0.519723D+00
      2   0.393734D+01  0.192785D+01  0.624060D+00  0.433090D+00 -0.145263D+01
      3  -0.450750D+00 -0.243113D+01  0.326508D+00 -0.106003D+00  0.932910D+00
      4  -0.953311D+01 -0.656435D+00  0.780479D+01  0.210847D+01  0.698586D+01
      5   0.184173D+01 -0.984586D+00  0.335145D+01  0.376456D+01  0.333515D+01
      6  -0.518487D+01  0.372573D+01 -0.147738D+00  0.900352D+00 -0.303039D+01
               131           132           133           134           135 
      1  -0.218580D+02 -0.103426D+02  0.337271D+00 -0.886845D+01 -0.992971D+01
      2   0.263881D+02  0.788847D+01  0.406697D+00  0.663747D+01  0.186976D+01
      3  -0.453004D+01  0.245408D+01 -0.743968D+00  0.223099D+01  0.805995D+01
      4  -0.148040D+01 -0.130890D+01  0.188970D+01 -0.124131D+01  0.265459D+00
      5  -0.201514D+01 -0.103066D+01  0.299343D+01 -0.823944D+00 -0.197062D+01
      6   0.248007D+02  0.164338D+02 -0.966830D+00  0.151179D+02  0.109902D+02
               136           137           138           139           140 
      1   0.563026D+01  0.624780D+01  0.111982D+02  0.924596D+01  0.127053D+02
      2   0.151806D+02 -0.493534D+01 -0.103029D+02 -0.967241D+01 -0.176280D+02
      3  -0.208108D+02 -0.131246D+01 -0.895323D+00  0.426450D+00  0.492267D+01
      4   0.939928D+01  0.287637D+01  0.211794D+01  0.346064D+00 -0.147867D+02
      5   0.128807D+02 -0.757129D+01 -0.204158D+02 -0.110841D+02  0.592536D+01
      6  -0.544990D+01  0.289881D+01  0.376911D+01  0.525459D+01  0.266532D+02
               141           142           143           144           145 
      1  -0.170093D+01  0.986791D+01  0.175103D+01 -0.153500D+02 -0.138538D+02
      2   0.158949D+02 -0.865865D+01  0.918337D+01  0.123099D+01  0.124544D+02
      3  -0.141940D+02 -0.120927D+01 -0.109344D+02  0.141191D+02  0.139935D+01
      4   0.671152D+01  0.330597D+01  0.439997D+01  0.188427D+01  0.219385D+02
      5   0.848946D+01 -0.195099D+02  0.479242D+01  0.260036D+01  0.248105D+02
      6  -0.878721D+01  0.143366D+01 -0.310525D+01 -0.121777D+02  0.741939D+01
               146           147           148           149           150 
      1   0.183127D+02  0.234864D+02  0.288700D+02  0.122276D+02 -0.283646D+01
      2  -0.106404D+02 -0.107600D+02 -0.209007D+02 -0.268116D+02  0.344324D+01
      3  -0.767233D+01 -0.127263D+02 -0.796932D+01  0.145840D+02 -0.606783D+00
      4   0.314157D+01  0.393477D+01 -0.348212D+01 -0.324912D+02  0.648549D+01
      5   0.166362D+01 -0.883732D+01 -0.978609D+00  0.598990D+01  0.955402D+01
      6   0.816312D+00 -0.183686D+01  0.638383D+00 -0.812584D+00  0.285333D+01
               151           152           153           154           155 
      1   0.288234D+02 -0.240908D+01 -0.123493D+02  0.218570D+02 -0.844769D+01
      2  -0.118769D+02  0.342411D+01  0.141162D+02 -0.277253D-01 -0.784058D+01
      3  -0.169465D+02 -0.101504D+01 -0.176693D+01 -0.218293D+02  0.162883D+02
      4   0.248493D+01  0.699871D+01  0.589273D+01 -0.333042D+02  0.285650D+02
      5  -0.142775D+02  0.732331D+01 -0.230162D+02  0.273664D+01 -0.247566D+01
      6  -0.353597D+01  0.389729D+01 -0.728523D+01 -0.319782D+01  0.336441D+01
               156           157           158           159           160 
      1  -0.632551D+00 -0.381354D+01 -0.422171D+00  0.540808D-01 -0.670897D+00
      2   0.954553D+00 -0.904952D+01  0.168015D+02  0.834773D+00  0.702423D+00
      3  -0.322002D+00  0.128631D+02 -0.163794D+02 -0.888854D+00 -0.315260D-01
      4  -0.919847D+00  0.230513D+02 -0.249398D+02  0.148052D+00 -0.244308D+00
      5   0.579182D+01 -0.180796D+01  0.132343D+01 -0.214191D+01  0.577978D+01
      6  -0.322348D+01  0.256975D+01 -0.303868D+01  0.496996D+01 -0.373576D+01
               161           162           163           164           165 
      1   0.303473D-01 -0.724482D-02  0.273232D+01  0.118078D+01 -0.493816D+01
      2   0.144488D+01  0.285403D+00 -0.132608D+02 -0.194943D+01 -0.148965D+02
      3  -0.147523D+01 -0.278158D+00  0.105285D+02  0.768642D+00  0.198346D+02
      4  -0.425152D+00 -0.469860D+01 -0.133453D+01  0.357737D+01 -0.221041D+01
      5  -0.388391D+01  0.200876D+00  0.184464D+02  0.596990D+00  0.195737D+02
      6   0.600810D+01 -0.220160D+01 -0.368575D+01  0.256487D+01 -0.423452D+01
               166           167           168           169           170 
      1  -0.144864D+01 -0.837087D+00 -0.140789D+01 -0.275935D+01  0.865303D+00
      2  -0.222378D+01 -0.209476D+01 -0.312450D+01 -0.118159D+02 -0.128424D+01
      3   0.367243D+01  0.293185D+01  0.453239D+01  0.145752D+02  0.418938D+00
      4   0.263809D+01  0.327053D+00  0.149867D+01 -0.133299D+01  0.206105D+01
      5   0.174811D+01  0.316479D+01  0.300803D+01  0.165943D+02  0.153211D+01
      6   0.186855D+01  0.106878D+01  0.507961D+01 -0.188597D+01  0.517168D+01
               171           172           173           174           175 
      1  -0.131846D+02 -0.256529D+01 -0.619432D+01  0.904980D+01 -0.464487D+01
      2  -0.203784D+02 -0.345127D+01  0.122047D+01  0.350699D+01  0.433185D+00
      3   0.335630D+02  0.601656D+01  0.497384D+01 -0.125568D+02  0.421169D+01
      4  -0.196498D+01  0.613251D+01  0.540082D+01 -0.558909D+01  0.485808D+01
      5   0.212879D+02 -0.129679D+02 -0.651784D+01  0.138765D+02 -0.612252D+01
      6  -0.603324D+01 -0.926911D+01 -0.116215D+02  0.131006D+02 -0.848933D+01
               176           177           178           179           180 
      1  -0.887986D+01  0.940601D+01  0.416126D+01  0.695479D+01 -0.121309D+02
      2   0.664596D+01  0.806958D-01  0.175874D+01  0.146901D+00 -0.644964D+01
      3   0.223390D+01 -0.948671D+01 -0.592000D+01 -0.710169D+01  0.185805D+02
      4   0.396723D+01 -0.383969D+01 -0.242021D+01 -0.294967D+01  0.304338D+01
      5  -0.570162D+01  0.669601D+01  0.954716D+01  0.455420D+01 -0.857082D+01
      6  -0.127463D+02  0.138194D+02  0.654143D+01  0.100496D+02 -0.144247D+02
               181           182           183           184           185 
      1  -0.282206D+01 -0.505684D+00 -0.123186D+02 -0.202086D+01 -0.304413D+01
      2  -0.516069D+01 -0.112893D+01 -0.508266D+01  0.289546D+00  0.106905D+01
      3   0.798276D+01  0.163462D+01  0.174013D+02  0.173132D+01  0.197508D+01
      4  -0.832487D+01 -0.591816D+00 -0.206821D+01 -0.555943D+00  0.538424D+00
      5   0.122599D+02  0.217492D+01  0.607567D+01  0.403861D+01  0.338193D+00
      6   0.188560D+01  0.380223D+01 -0.277230D+01  0.164818D+01 -0.139182D+01
               186           187           188           189           190 
      1  -0.323131D+01 -0.801519D+01 -0.143537D+01 -0.642151D+01 -0.721381D+00
      2  -0.331953D+01 -0.313443D+01 -0.112010D+01 -0.691833D+01  0.534779D+00
      3   0.655084D+01  0.111496D+02  0.255547D+01  0.133398D+02  0.186603D+00
      4  -0.824733D+00 -0.183829D+01  0.115896D+00 -0.310719D+01  0.231125D+01
      5  -0.840075D+00  0.867911D+01  0.863169D+00  0.521087D+01 -0.307405D+01
      6   0.301912D+01 -0.683813D-01  0.428239D+01  0.868684D+00 -0.277772D+01
               191           192           193           194           195 
      1   0.145573D+01 -0.121988D+01  0.411308D+00 -0.210091D+02  0.116551D+02
      2   0.329971D-01  0.155358D+01  0.178113D+01  0.299069D+02 -0.603088D+01
      3  -0.148873D+01 -0.333702D+00 -0.219243D+01 -0.889784D+01 -0.562424D+01
      4   0.642602D+01 -0.221850D+01  0.874704D+01  0.178673D+02 -0.661001D+01
      5  -0.284259D+01  0.519660D+01 -0.494669D+01 -0.620957D+01  0.554141D+01
      6  -0.189212D+01  0.560648D+00 -0.438715D+01 -0.350518D+02  0.196436D+02
               196           197           198           199           200 
      1  -0.526640D+00  0.482979D+01 -0.476820D+01  0.142791D+02 -0.280490D+01
      2   0.139247D+01 -0.940249D+00  0.888720D+00 -0.198705D+02  0.362583D+01
      3  -0.865832D+00 -0.388954D+01  0.387948D+01  0.559144D+01 -0.820935D+00
      4  -0.848589D+00 -0.212887D+01  0.251029D+01 -0.916365D+00  0.509069D+01
      5   0.375957D+01  0.197792D+01 -0.290618D+01 -0.281440D+02  0.456325D+01
      6   0.876095D+00  0.106220D+02 -0.659804D+01  0.329760D+01 -0.618643D+01
               201           202           203           204           205 
      1  -0.328329D+01 -0.489148D+01 -0.119384D+00 -0.114698D+00 -0.277693D+01
      2   0.168300D+02  0.699472D+01 -0.906077D+00 -0.850149D+01  0.121885D+02
      3  -0.135467D+02 -0.210324D+01  0.102546D+01  0.861618D+01 -0.941159D+01
      4   0.485193D-01  0.446425D+01 -0.249072D+01 -0.419267D+01 -0.650644D+00
      5   0.262791D+02  0.109424D+02 -0.640598D+01 -0.107835D+02  0.195207D+02
      6  -0.104931D+01 -0.529021D+01  0.201292D+01  0.634455D+01 -0.186064D+01
               206           207           208           209           210 
      1   0.145723D+00 -0.227413D+01  0.603945D+01 -0.295452D+01  0.543928D+01
      2  -0.392233D+01 -0.163511D+02 -0.683057D+01  0.146498D+01 -0.561382D+01
      3   0.377661D+01  0.186252D+02  0.791113D+00  0.148954D+01  0.174536D+00
      4  -0.281692D+01 -0.119391D+01 -0.152876D+01  0.964948D+00  0.111704D+01
      5  -0.408261D+01 -0.216574D+02  0.667936D+01 -0.745211D+00  0.128175D+02
      6   0.561343D+01  0.199959D+01  0.497713D+00  0.202824D+00  0.213568D+01
               211           212           213           214           215 
      1  -0.755022D+01 -0.171254D+01 -0.363223D+00  0.125797D+02  0.132985D+01
      2   0.459518D+01  0.166701D+01  0.175684D+01 -0.985957D+01  0.160299D+01
      3   0.295504D+01  0.455310D-01 -0.139362D+01 -0.272010D+01 -0.293284D+01
      4   0.177718D+01  0.915875D+00  0.383894D+01  0.477130D+01  0.724663D+01
      5  -0.209366D+01  0.298196D+01 -0.465116D+01  0.193641D+02 -0.732985D+00
      6   0.335515D+00 -0.392905D+00  0.266342D+01  0.481242D+01  0.418377D+01
               216           217           218           219           220 
      1   0.313080D+01  0.612522D+02 -0.691347D+01 -0.152435D+02 -0.224630D+02
      2  -0.165506D+02 -0.330608D+02  0.500151D+01  0.859846D+01  0.129314D+02
      3   0.134198D+02 -0.281914D+02  0.191196D+01  0.664500D+01  0.953161D+01
      4  -0.296199D-01 -0.467638D+00  0.869490D+01  0.600588D+00  0.940495D+01
      5   0.369255D+02 -0.153757D+02  0.166983D+01  0.130789D+02  0.493736D+01
      6   0.106692D+02 -0.332736D+01  0.342408D+00  0.305852D+01  0.324884D-01
               221           222           223           224           225 
      1   0.528418D+01  0.419367D+01 -0.288172D+02  0.183206D+01  0.113504D+02
      2  -0.297933D+00 -0.289040D+01  0.160699D+02 -0.229419D+01 -0.942095D+01
      3  -0.498625D+01 -0.130328D+01  0.127474D+02  0.462129D+00 -0.192944D+01
      4  -0.249204D+01 -0.379019D+01 -0.650481D+00 -0.648605D+01 -0.158855D+01
      5  -0.357267D+01 -0.615872D+01  0.162848D+02 -0.230383D+01 -0.105011D+02
      6   0.531314D+00  0.546881D+00  0.255355D+01  0.694443D+00 -0.104284D+01
               226           227           228           229           230 
      1   0.513149D+01  0.447929D+01 -0.222551D+01  0.647290D+01 -0.123362D+02
      2   0.153905D+00 -0.136562D+01  0.121948D+01  0.550207D+01  0.379807D+02
      3  -0.528540D+01 -0.311367D+01  0.100602D+01 -0.119750D+02 -0.256444D+02
      4   0.428131D+01  0.850450D+01 -0.582984D+00  0.216046D+02  0.477019D+02
      5  -0.191637D+01  0.276665D+00  0.198173D+01  0.128734D+01 -0.118970D+01
      6  -0.566863D+00  0.108494D+00 -0.230624D+00  0.116659D+01  0.353177D+01
               231           232           233           234 
      1   0.114823D+01 -0.451690D+01  0.849183D+00 -0.316054D+00
      2  -0.164391D+01  0.115796D+01 -0.280265D+01  0.134230D+01
      3   0.495680D+00  0.335894D+01  0.195346D+01 -0.102624D+01
      4  -0.111816D+01 -0.240969D+01 -0.430910D+01  0.391654D+01
      5   0.635088D+01  0.427311D+01  0.424986D+01  0.739358D+00
      6   0.686909D+01  0.204425D+01  0.574535D+01 -0.765829D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 22:40:15 2021, MaxMem= 10737418240 cpu:           48376.5 elap:            3027.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.30114 -10.29250 -10.29236 -10.29180 -10.28876
 Alpha  occ. eigenvalues --  -10.28674 -10.28307 -10.27889 -10.27724 -10.27230
 Alpha  occ. eigenvalues --   -0.98490  -0.88738  -0.84901  -0.83070  -0.77740
 Alpha  occ. eigenvalues --   -0.76776  -0.70643  -0.68944  -0.64005  -0.58342
 Alpha  occ. eigenvalues --   -0.56159  -0.53917  -0.52859  -0.51502  -0.50352
 Alpha  occ. eigenvalues --   -0.49087  -0.48772  -0.47559  -0.46495  -0.45061
 Alpha  occ. eigenvalues --   -0.44804  -0.43459  -0.42903  -0.40352  -0.37246
 Alpha  occ. eigenvalues --   -0.37165  -0.35371  -0.30115
 Alpha virt. eigenvalues --    0.03675   0.04305   0.04454   0.04655   0.05839
 Alpha virt. eigenvalues --    0.06067   0.06352   0.06553   0.06653   0.08162
 Alpha virt. eigenvalues --    0.08443   0.08710   0.08834   0.09034   0.09472
 Alpha virt. eigenvalues --    0.10531   0.10935   0.12625   0.12881   0.13424
 Alpha virt. eigenvalues --    0.13558   0.13878   0.14382   0.14767   0.15263
 Alpha virt. eigenvalues --    0.15424   0.15899   0.16054   0.16431   0.16580
 Alpha virt. eigenvalues --    0.16975   0.17301   0.17703   0.17902   0.18260
 Alpha virt. eigenvalues --    0.18804   0.19622   0.19759   0.19939   0.20531
 Alpha virt. eigenvalues --    0.21555   0.21861   0.22303   0.22905   0.23114
 Alpha virt. eigenvalues --    0.23780   0.23909   0.24408   0.24708   0.25252
 Alpha virt. eigenvalues --    0.25635   0.26275   0.26629   0.27090   0.27635
 Alpha virt. eigenvalues --    0.28170   0.28637   0.29304   0.29669   0.30567
 Alpha virt. eigenvalues --    0.31184   0.31508   0.32177   0.32525   0.32721
 Alpha virt. eigenvalues --    0.33364   0.34332   0.35526   0.35726   0.36121
 Alpha virt. eigenvalues --    0.36825   0.37598   0.38159   0.38638   0.38782
 Alpha virt. eigenvalues --    0.38985   0.39944   0.40257   0.41172   0.41857
 Alpha virt. eigenvalues --    0.42286   0.42610   0.43625   0.43825   0.44379
 Alpha virt. eigenvalues --    0.45281   0.45437   0.45776   0.46144   0.46395
 Alpha virt. eigenvalues --    0.47187   0.47519   0.48301   0.48718   0.48880
 Alpha virt. eigenvalues --    0.49431   0.50457   0.51039   0.51475   0.52095
 Alpha virt. eigenvalues --    0.53312   0.53719   0.54384   0.55189   0.55606
 Alpha virt. eigenvalues --    0.56169   0.57879   0.58122   0.58639   0.58959
 Alpha virt. eigenvalues --    0.59373   0.59844   0.59982   0.60581   0.61761
 Alpha virt. eigenvalues --    0.62624   0.63308   0.63488   0.64102   0.64434
 Alpha virt. eigenvalues --    0.64886   0.65432   0.65912   0.66052   0.66394
 Alpha virt. eigenvalues --    0.66603   0.67183   0.68349   0.68906   0.69639
 Alpha virt. eigenvalues --    0.70161   0.70595   0.71362   0.71404   0.71551
 Alpha virt. eigenvalues --    0.73006   0.73304   0.74059   0.74385   0.75126
 Alpha virt. eigenvalues --    0.75572   0.75975   0.76126   0.76315   0.77126
 Alpha virt. eigenvalues --    0.78354   0.78679   0.79488   0.80591   0.80645
 Alpha virt. eigenvalues --    0.81235   0.81877   0.82166   0.83202   0.83570
 Alpha virt. eigenvalues --    0.84772   0.85350   0.85934   0.86245   0.87346
 Alpha virt. eigenvalues --    0.87532   0.88128   0.89489   0.89930   0.90701
 Alpha virt. eigenvalues --    0.91693   0.92469   0.93506   0.94573   0.95666
 Alpha virt. eigenvalues --    0.96232   0.96335   0.97483   0.98905   1.00762
 Alpha virt. eigenvalues --    1.01141   1.02445   1.04486   1.05669   1.06802
 Alpha virt. eigenvalues --    1.07641   1.08091   1.08390   1.10155   1.10794
 Alpha virt. eigenvalues --    1.12431   1.13946   1.14827   1.16047   1.16881
 Alpha virt. eigenvalues --    1.17539   1.19698   1.20973   1.21557   1.23239
 Alpha virt. eigenvalues --    1.24887   1.26313   1.28434   1.28881   1.29101
 Alpha virt. eigenvalues --    1.33537   1.33817   1.36265   1.37868   1.39828
 Alpha virt. eigenvalues --    1.40890   1.42514   1.44157   1.44571   1.45723
 Alpha virt. eigenvalues --    1.47813   1.49079   1.49718   1.51676   1.52520
 Alpha virt. eigenvalues --    1.55232   1.55353   1.56746   1.57148   1.58965
 Alpha virt. eigenvalues --    1.60001   1.61666   1.62824   1.63505   1.65400
 Alpha virt. eigenvalues --    1.66325   1.67674   1.69439   1.70011   1.71440
 Alpha virt. eigenvalues --    1.71764   1.74508   1.75157   1.75919   1.76885
 Alpha virt. eigenvalues --    1.77368   1.78045   1.79347   1.80598   1.82720
 Alpha virt. eigenvalues --    1.83155   1.83459   1.85114   1.86512   1.87589
 Alpha virt. eigenvalues --    1.89994   1.90918   1.91696   1.92634   1.93630
 Alpha virt. eigenvalues --    1.93646   1.95651   1.96696   1.98061   1.99185
 Alpha virt. eigenvalues --    2.01795   2.02806   2.03121   2.05655   2.06449
 Alpha virt. eigenvalues --    2.06944   2.09330   2.09779   2.11187   2.12517
 Alpha virt. eigenvalues --    2.13053   2.14297   2.15386   2.16416   2.17962
 Alpha virt. eigenvalues --    2.19319   2.20342   2.22991   2.23149   2.24929
 Alpha virt. eigenvalues --    2.25259   2.25997   2.27993   2.28391   2.29360
 Alpha virt. eigenvalues --    2.30638   2.31563   2.31907   2.33251   2.35910
 Alpha virt. eigenvalues --    2.36400   2.37711   2.39853   2.40101   2.41694
 Alpha virt. eigenvalues --    2.45196   2.45633   2.46224   2.48670   2.49835
 Alpha virt. eigenvalues --    2.50750   2.52010   2.53372   2.54027   2.54813
 Alpha virt. eigenvalues --    2.56836   2.58773   2.59662   2.61345   2.61757
 Alpha virt. eigenvalues --    2.63022   2.63988   2.66802   2.69196   2.71522
 Alpha virt. eigenvalues --    2.71948   2.73851   2.74980   2.77826   2.80125
 Alpha virt. eigenvalues --    2.80810   2.84202   2.84850   2.87466   2.88791
 Alpha virt. eigenvalues --    2.91509   2.94089   2.98569   3.00646   3.01654
 Alpha virt. eigenvalues --    3.05850   3.06973   3.18982   3.21469   3.26230
 Alpha virt. eigenvalues --    3.45950   3.48359   3.95872   4.18686   4.48134
 Alpha virt. eigenvalues --    4.75467
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   17.727566  -0.835412  -7.410097  -1.688894   1.021975  -1.938200
     2  C   -0.835412   7.572444   0.104216   0.210208  -1.508854   0.698140
     3  C   -7.410097   0.104216  15.576698  -0.168621  -5.199890   2.179532
     4  C   -1.688894   0.210208  -0.168621   6.805514   0.167283  -0.152471
     5  C    1.021975  -1.508854  -5.199890   0.167283  20.207947  -5.599940
     6  C   -1.938200   0.698140   2.179532  -0.152471  -5.599940  14.936252
     7  C    1.569808  -1.197066  -2.285631   0.281274   3.486394  -4.593787
     8  C   -1.300745   0.264014   1.499996  -0.359876  -4.489039   2.810129
     9  H   -2.027729   0.117485   0.762966   0.181791   0.013008   0.108378
    10  H   -0.008929  -0.202914   0.192864   0.021246  -0.186401   0.251910
    11  H    0.319819  -0.241921   0.006716  -0.026810   0.059520  -0.129788
    12  H    0.149828  -0.039563   0.249413  -0.264564  -0.029843  -0.029058
    13  H   -0.073044   0.016152   0.042759   0.350430  -0.200768   0.139290
    14  H   -0.219149   0.024236   0.146343   0.416351   0.021074  -0.040315
    15  H   -0.048060   0.165430   0.818520  -0.297076  -3.313158   0.684917
    16  C   -0.025172  -0.252770  -0.442220   0.150135   1.136208  -2.233806
    17  C    0.087007  -0.075708  -0.088754  -0.046082  -0.114817  -0.599013
    18  H    0.023251   0.406901   0.035594  -0.020249  -0.285897   0.394029
    19  H   -0.340746   0.035612   0.439926   0.071292   0.014165  -0.075065
    20  H    0.214621   0.172311   0.016555  -0.174895  -0.752430   0.403637
    21  H    0.201146  -0.003330  -0.105296  -0.157365  -0.408407   0.610316
    22  H    0.038110  -0.030579   0.175644  -0.012003  -0.204793   0.116932
    23  H   -0.020255   0.039590   0.010583   0.043946   0.193379  -0.045962
    24  H    0.007568   0.004270   0.002198   0.030778   0.007040   0.782100
    25  H   -0.019463   0.055709  -0.022472  -0.004969   0.055601   0.007735
    26  H    0.014726  -0.042503   0.073910  -0.021119  -0.183582  -0.077850
               7          8          9         10         11         12
     1  C    1.569808  -1.300745  -2.027729  -0.008929   0.319819   0.149828
     2  C   -1.197066   0.264014   0.117485  -0.202914  -0.241921  -0.039563
     3  C   -2.285631   1.499996   0.762966   0.192864   0.006716   0.249413
     4  C    0.281274  -0.359876   0.181791   0.021246  -0.026810  -0.264564
     5  C    3.486394  -4.489039   0.013008  -0.186401   0.059520  -0.029843
     6  C   -4.593787   2.810129   0.108378   0.251910  -0.129788  -0.029058
     7  C   14.199510  -3.814228  -0.249723  -0.109293   0.113299   0.019770
     8  C   -3.814228   9.652024   0.149827   0.069623   0.004610  -0.032350
     9  H   -0.249723   0.149827   2.899665  -0.067829  -0.040608  -0.065877
    10  H   -0.109293   0.069623  -0.067829   1.896898  -0.532965   0.000889
    11  H    0.113299   0.004610  -0.040608  -0.532965   1.861454  -0.003823
    12  H    0.019770  -0.032350  -0.065877   0.000889  -0.003823   1.605359
    13  H   -0.052466   0.081187   0.015426   0.000834  -0.000624  -0.164380
    14  H    0.008501   0.005210   0.011552   0.001966   0.000398  -0.197437
    15  H   -0.384588   0.956592  -0.022157  -0.005204   0.010718   0.018837
    16  C    1.199324  -0.916021   0.064913   0.002455  -0.089501   0.022089
    17  C   -0.678654   0.280706  -0.004230   0.012240   0.002833   0.002952
    18  H   -2.327477   0.743631   0.001957  -0.065315  -0.043538   0.000111
    19  H    0.279347  -0.769307   0.003257   0.038360  -0.012252   0.000961
    20  H   -0.884522   0.571126  -0.009025  -0.041521   0.034486  -0.003521
    21  H   -0.289760   0.179104  -0.030750   0.013299  -0.006797   0.018992
    22  H    0.036402   0.037078   0.006393  -0.006562   0.012182  -0.003151
    23  H   -0.012060  -0.103014   0.001376   0.011916  -0.032641   0.002416
    24  H    0.046445  -0.240614  -0.001720  -0.000462   0.002974   0.000396
    25  H   -0.056025   0.017906   0.000403  -0.004607   0.020639   0.000266
    26  H   -0.047568   0.069711   0.000516   0.003991  -0.010886  -0.000673
              13         14         15         16         17         18
     1  C   -0.073044  -0.219149  -0.048060  -0.025172   0.087007   0.023251
     2  C    0.016152   0.024236   0.165430  -0.252770  -0.075708   0.406901
     3  C    0.042759   0.146343   0.818520  -0.442220  -0.088754   0.035594
     4  C    0.350430   0.416351  -0.297076   0.150135  -0.046082  -0.020249
     5  C   -0.200768   0.021074  -3.313158   1.136208  -0.114817  -0.285897
     6  C    0.139290  -0.040315   0.684917  -2.233806  -0.599013   0.394029
     7  C   -0.052466   0.008501  -0.384588   1.199324  -0.678654  -2.327477
     8  C    0.081187   0.005210   0.956592  -0.916021   0.280706   0.743631
     9  H    0.015426   0.011552  -0.022157   0.064913  -0.004230   0.001957
    10  H    0.000834   0.001966  -0.005204   0.002455   0.012240  -0.065315
    11  H   -0.000624   0.000398   0.010718  -0.089501   0.002833  -0.043538
    12  H   -0.164380  -0.197437   0.018837   0.022089   0.002952   0.000111
    13  H    1.093578  -0.192799  -0.029425  -0.030921   0.018029  -0.002098
    14  H   -0.192799   1.066274   0.010989   0.015042  -0.028428  -0.000924
    15  H   -0.029425   0.010989   3.733674  -0.274840  -0.040415   0.004477
    16  C   -0.030921   0.015042  -0.274840   6.823670  -0.553250  -0.217022
    17  C    0.018029  -0.028428  -0.040415  -0.553250   6.314009   0.089214
    18  H   -0.002098  -0.000924   0.004477  -0.217022   0.089214   3.040605
    19  H    0.009636   0.005683  -0.103973   0.150558   0.048443  -0.099138
    20  H    0.004432  -0.006849   0.168177  -0.147398   0.010396   0.123775
    21  H   -0.002296  -0.028422   0.015764  -0.027242   0.166582  -0.001730
    22  H   -0.003542   0.010843   0.024179   0.048454  -0.219303   0.004467
    23  H   -0.000918   0.005009  -0.003193   0.046017  -0.018052   0.002236
    24  H    0.001691   0.001174  -0.059686  -0.119564  -0.252060  -0.055776
    25  H   -0.000084  -0.001565   0.028694   0.007125   0.121012  -0.010692
    26  H    0.003115  -0.002052  -0.027360   0.174805   0.254686   0.018032
              19         20         21         22         23         24
     1  C   -0.340746   0.214621   0.201146   0.038110  -0.020255   0.007568
     2  C    0.035612   0.172311  -0.003330  -0.030579   0.039590   0.004270
     3  C    0.439926   0.016555  -0.105296   0.175644   0.010583   0.002198
     4  C    0.071292  -0.174895  -0.157365  -0.012003   0.043946   0.030778
     5  C    0.014165  -0.752430  -0.408407  -0.204793   0.193379   0.007040
     6  C   -0.075065   0.403637   0.610316   0.116932  -0.045962   0.782100
     7  C    0.279347  -0.884522  -0.289760   0.036402  -0.012060   0.046445
     8  C   -0.769307   0.571126   0.179104   0.037078  -0.103014  -0.240614
     9  H    0.003257  -0.009025  -0.030750   0.006393   0.001376  -0.001720
    10  H    0.038360  -0.041521   0.013299  -0.006562   0.011916  -0.000462
    11  H   -0.012252   0.034486  -0.006797   0.012182  -0.032641   0.002974
    12  H    0.000961  -0.003521   0.018992  -0.003151   0.002416   0.000396
    13  H    0.009636   0.004432  -0.002296  -0.003542  -0.000918   0.001691
    14  H    0.005683  -0.006849  -0.028422   0.010843   0.005009   0.001174
    15  H   -0.103973   0.168177   0.015764   0.024179  -0.003193  -0.059686
    16  C    0.150558  -0.147398  -0.027242   0.048454   0.046017  -0.119564
    17  C    0.048443   0.010396   0.166582  -0.219303  -0.018052  -0.252060
    18  H   -0.099138   0.123775  -0.001730   0.004467   0.002236  -0.055776
    19  H    2.793939  -0.910890   0.025004  -0.004312  -0.005168  -0.027448
    20  H   -0.910890   2.840666  -0.002925   0.004386  -0.006419  -0.006242
    21  H    0.025004  -0.002925   2.146115  -0.533306  -0.504251  -0.051896
    22  H   -0.004312   0.004386  -0.533306   1.897156  -0.227156   0.020844
    23  H   -0.005168  -0.006419  -0.504251  -0.227156   1.703432   0.031180
    24  H   -0.027448  -0.006242  -0.051896   0.020844   0.031180   1.931371
    25  H    0.001217   0.007119   0.015798   0.009542  -0.044460  -0.365875
    26  H    0.014508   0.002796   0.050586  -0.057581  -0.003737  -0.391074
              25         26
     1  C   -0.019463   0.014726
     2  C    0.055709  -0.042503
     3  C   -0.022472   0.073910
     4  C   -0.004969  -0.021119
     5  C    0.055601  -0.183582
     6  C    0.007735  -0.077850
     7  C   -0.056025  -0.047568
     8  C    0.017906   0.069711
     9  H    0.000403   0.000516
    10  H   -0.004607   0.003991
    11  H    0.020639  -0.010886
    12  H    0.000266  -0.000673
    13  H   -0.000084   0.003115
    14  H   -0.001565  -0.002052
    15  H    0.028694  -0.027360
    16  C    0.007125   0.174805
    17  C    0.121012   0.254686
    18  H   -0.010692   0.018032
    19  H    0.001217   0.014508
    20  H    0.007119   0.002796
    21  H    0.015798   0.050586
    22  H    0.009542  -0.057581
    23  H   -0.044460  -0.003737
    24  H   -0.365875  -0.391074
    25  H    1.814738  -0.454041
    26  H   -0.454041   1.808758
 Mulliken charges:
               1
     1  C    0.580471
     2  C    0.543899
     3  C   -0.611452
     4  C    0.664747
     5  C    2.094224
     6  C   -2.608043
     7  C    1.742771
     8  C    0.632720
     9  H   -0.819267
    10  H   -0.286488
    11  H   -0.277492
    12  H   -0.258039
    13  H   -0.023194
    14  H   -0.032704
    15  H   -1.031834
    16  C    1.488933
    17  C    1.310659
    18  H   -0.758426
    19  H   -0.583609
    20  H   -0.627843
    21  H   -0.288937
    22  H   -0.140325
    23  H   -0.063792
    24  H   -0.297613
    25  H   -0.179251
    26  H   -0.170116
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.238796
     2  C   -0.020081
     3  C   -0.611452
     4  C    0.350811
     5  C    1.062391
     6  C   -2.608043
     7  C    0.984346
     8  C   -0.578732
    16  C    0.995879
    17  C    0.663678
 Electronic spatial extent (au):  <R**2>=           1369.1914
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.1126    Y=             -0.1335    Z=             -0.0677  Tot=              0.1873
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -63.3141   YY=            -62.6700   ZZ=            -64.3844
   XY=             -0.7108   XZ=              0.4474   YZ=              0.9185
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.1421   YY=              0.7862   ZZ=             -0.9282
   XY=             -0.7108   XZ=              0.4474   YZ=              0.9185
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              2.9822  YYY=             -0.9146  ZZZ=             -2.6091  XYY=              0.8905
  XXY=              0.8920  XXZ=              2.0104  XZZ=             -0.6810  YZZ=              0.7119
  YYZ=              0.6905  XYZ=              0.9984
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -970.0525 YYYY=           -520.0522 ZZZZ=           -431.8360 XXXY=             -7.1029
 XXXZ=              4.8880 YYYX=              1.8589 YYYZ=             -2.5414 ZZZX=              1.4545
 ZZZY=              5.8651 XXYY=           -253.4239 XXZZ=           -229.2754 YYZZ=           -159.9473
 XXYZ=              5.0274 YYXZ=             -0.0497 ZZXY=             -1.4296
 N-N= 5.686455418258D+02 E-N=-2.041375261205D+03  KE= 3.880720715168D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 22:40:16 2021, MaxMem= 10737418240 cpu:               9.3 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.01354395D-02-4.67109708D-02-2.98293330D-02
 Polarizability= 1.17628112D+02-3.73203591D-01 1.14129905D+02
                 4.01355505D-01 4.33344675D+00 1.02520822D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.2335   -0.2310       -0.1647   -0.1616
 2      0.2335    0.2310       -2.3615   -2.3615       -1.4451   -1.4429
 3      0.1647    0.1616        7.6206    7.6147        2.3625    2.3615
 4      2.3615    2.3615        0.0000    0.0000        0.1620    0.1616
 5     -6.1755   -6.1718       -0.1620   -0.1616       -0.2316   -0.2310
 6     -2.3625   -2.3615        0.2316    0.2310        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.6929    0.6929       -0.4849   -0.4849
 2      7.0845    7.0845        0.0000    0.0000       -0.4849   -0.4849
 3      7.0845    7.0845        0.6929    0.6929       -0.0000    0.0000
 4      0.6929    0.6929       -7.0845   -7.0845       -4.3287   -4.3287
 5      0.4849    0.4849       22.8442   22.8442        7.0845    7.0845
 6    -18.5154  -18.5154       -0.4849   -0.4849       -0.6929   -0.6929
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.8707    0.0000        0.9630    0.9239        0.5534    0.6466
 2     -0.0539   -0.9239        7.6816    9.4460        4.5545    5.7717
 3     -1.6088   -0.6466      -30.6554  -30.4589       -9.2151   -9.4460
 4     -9.0252   -9.4460       -0.5145    0.0000       -0.1083   -0.6466
 5     23.8551   24.6873        1.3543    0.6466        1.4327    0.9239
 6      9.7525    9.4460       -0.9248   -0.9239       -0.0006    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.3214    0.0000       12.8038   12.6936       -7.1686   -6.6374
 2    -11.8494  -12.6936      -31.3385  -27.3656      -32.1320  -31.9044
 3      6.9977    6.6374      -30.6020  -29.2760       27.2216   27.3656
 4     27.2265   27.3656       -0.4375    0.0000        6.8976    6.6374
 5     60.9127   61.1804       -5.6455   -6.6374       10.6896   12.6936
 6    -27.4130  -27.3656      -11.9674  -12.6936        0.2998    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     22.3203   21.6234       38.9912   38.9881       -5.4057   -4.7662
 2     55.1796   54.8885       56.6650   57.0380       -4.9662   -4.7662
 3     55.2706   54.8885       38.5412   38.9881       -7.4556   -6.8379
 4    -16.3021  -18.0499      -36.7585  -33.2651      -39.8356  -39.2527
 5     -2.3711   -2.0717      -23.8170  -23.6709       33.8562   33.2651
 6     63.5302   62.9236        1.7960    2.0717       14.8149   18.0499
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.9800   -0.0005    0.0001    0.0005    5.6420    9.5001
 Low frequencies ---  124.3867  182.0856  195.0144
 Diagonal vibrational polarizability:
        1.7543591       1.9093594       3.3530616
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --    124.3849               182.0848               195.0142
 Red. masses --      2.6490                 1.0304                 1.8429
 Frc consts  --      0.0241                 0.0201                 0.0413
 IR Inten    --      0.9979                 0.0619                 0.0468
 RamAct Fr= 1--      1.6142                 0.1269                 0.7502
  Dep-P Fr= 1--      0.7434                 0.3690                 0.7366
  Dep-U Fr= 1--      0.8528                 0.5390                 0.8484
 Alpha2 Fr= 1--      0.0002                 0.0010                 0.0002
 Beta2  Fr= 1--      0.2294                 0.0114                 0.1061
 AlphaG Fr= 1--     -0.0062                -0.0001                 0.0000
 Gamma2 Fr= 1--     -0.1733                -0.0680                 0.3296
 Delta2 Fr= 1--     -0.1250                 0.0633                -0.0152
 Raman1 Fr= 1--       6.457                  0.508                  3.001
 ROA1   Fr= 1--     -20.641                 -4.502                 31.155
 CID1   Fr= 1--      -3.197                 -8.871                 10.382
 Raman2 Fr= 1--       2.753                  0.137                  1.273
 ROA2   Fr= 1--      -3.160                 -2.138                  8.032
 CID2   Fr= 1--      -1.148                -15.630                  6.310
 Raman3 Fr= 1--       5.506                  0.274                  2.546
 ROA3   Fr= 1--     -20.641                 -4.502                 31.155
 CID3   Fr= 1--      -3.749                -16.456                 12.238
 RC180  Fr= 1--       0.706                  0.078                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04  -0.07    -0.00  -0.01   0.01     0.00   0.03  -0.03
     2   6     0.01   0.05  -0.04     0.01   0.01  -0.01    -0.01   0.01  -0.01
     3   6    -0.01   0.03  -0.05    -0.01  -0.01   0.01     0.00   0.01   0.02
     4   6    -0.12  -0.10   0.21    -0.00  -0.00  -0.02     0.06   0.07   0.03
     5   6     0.00   0.07  -0.09    -0.01  -0.00   0.01    -0.00  -0.05   0.03
     6   6     0.04  -0.01  -0.02    -0.00   0.01   0.00    -0.01  -0.02   0.00
     7   6    -0.02   0.02   0.03     0.00   0.01  -0.00     0.02  -0.02  -0.01
     8   6    -0.06   0.08  -0.01     0.00  -0.00   0.00     0.02  -0.06  -0.00
     9   1    -0.02  -0.00   0.01    -0.00  -0.01   0.01     0.02   0.07  -0.10
    10   1    -0.03   0.04  -0.07     0.02  -0.01  -0.04    -0.03   0.02  -0.01
    11   1     0.06   0.05  -0.03     0.00   0.05  -0.02    -0.01  -0.01  -0.01
    12   1    -0.13  -0.14   0.25    -0.02  -0.03   0.03     0.15   0.30  -0.29
    13   1    -0.05  -0.33   0.29     0.02   0.07  -0.03    -0.16  -0.22   0.05
    14   1    -0.30   0.02   0.35    -0.01  -0.03  -0.09     0.26   0.19   0.39
    15   1     0.01   0.09  -0.13    -0.01  -0.00   0.01     0.02  -0.06   0.05
    16   6     0.15  -0.11  -0.05     0.01  -0.02  -0.00     0.01  -0.14  -0.03
    17   6     0.03  -0.02   0.03    -0.00   0.01   0.00    -0.10   0.16   0.01
    18   1    -0.05  -0.01   0.09     0.01   0.01  -0.01     0.01  -0.03  -0.04
    19   1    -0.08   0.08   0.00     0.00   0.00   0.00     0.02  -0.06  -0.00
    20   1    -0.10   0.13  -0.02     0.01  -0.01   0.00     0.03  -0.09  -0.01
    21   1     0.13  -0.03  -0.07    -0.17   0.33   0.11     0.01  -0.17  -0.02
    22   1     0.28  -0.12  -0.14     0.45  -0.05  -0.08     0.03  -0.15  -0.15
    23   1     0.12  -0.25   0.03    -0.22  -0.40  -0.05     0.01  -0.22   0.04
    24   1    -0.05   0.04   0.05     0.17  -0.30  -0.09    -0.12   0.25   0.04
    25   1     0.05  -0.10   0.11    -0.03   0.29  -0.24    -0.01   0.25   0.08
    26   1     0.08  -0.03  -0.04    -0.15   0.05   0.34    -0.25   0.15  -0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --    204.2232               225.1366               264.2680
 Red. masses --      1.2526                 1.1172                 2.8534
 Frc consts  --      0.0308                 0.0334                 0.1174
 IR Inten    --      0.1289                 0.1561                 0.0331
 RamAct Fr= 1--      0.3395                 0.4102                 2.1367
  Dep-P Fr= 1--      0.7380                 0.6647                 0.6077
  Dep-U Fr= 1--      0.8492                 0.7986                 0.7560
 Alpha2 Fr= 1--      0.0001                 0.0006                 0.0056
 Beta2  Fr= 1--      0.0480                 0.0546                 0.2692
 AlphaG Fr= 1--     -0.0020                -0.0066                -0.0006
 Gamma2 Fr= 1--     -0.2163                 0.3505                 0.8970
 Delta2 Fr= 1--      0.0895                 0.0195                 0.2614
 Raman1 Fr= 1--       1.358                  1.641                  8.547
 ROA1   Fr= 1--     -17.902                 34.274                 94.477
 CID1   Fr= 1--     -13.184                 20.891                 11.054
 Raman2 Fr= 1--       0.577                  0.655                  3.231
 ROA2   Fr= 1--      -5.908                  8.257                 19.437
 CID2   Fr= 1--     -10.246                 12.605                  6.017
 Raman3 Fr= 1--       1.153                  1.310                  6.461
 ROA3   Fr= 1--     -17.902                 34.274                 94.477
 CID3   Fr= 1--     -15.524                 26.160                 14.623
 RC180  Fr= 1--       0.698                  0.597                  0.512
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.01    -0.01  -0.00  -0.01    -0.12  -0.10   0.17
     2   6    -0.01   0.01  -0.03    -0.02  -0.02   0.03    -0.09  -0.06   0.08
     3   6    -0.01  -0.00   0.02     0.01   0.01  -0.03    -0.04  -0.03   0.01
     4   6     0.03   0.03   0.02     0.01   0.01   0.03    -0.01   0.01  -0.02
     5   6     0.00  -0.02  -0.01     0.01   0.00  -0.04     0.01  -0.00  -0.08
     6   6     0.00  -0.01  -0.00     0.01  -0.03  -0.01     0.02   0.03  -0.06
     7   6     0.01  -0.01  -0.02    -0.01  -0.02   0.01     0.00   0.01  -0.11
     8   6     0.00  -0.04  -0.02    -0.01   0.02  -0.01     0.07   0.01  -0.08
     9   1    -0.03  -0.01   0.04    -0.02  -0.01   0.01    -0.17  -0.15   0.29
    10   1     0.01  -0.01  -0.06    -0.05   0.00   0.08     0.02  -0.04   0.20
    11   1    -0.03   0.04  -0.04    -0.02  -0.08   0.04    -0.25  -0.14   0.04
    12   1    -0.15  -0.13   0.46    -0.02   0.02   0.08     0.06   0.11  -0.21
    13   1     0.39   0.44   0.02     0.07  -0.01   0.05    -0.16  -0.12  -0.03
    14   1    -0.11  -0.15  -0.44    -0.02   0.02   0.03     0.11   0.06   0.16
    15   1     0.01  -0.03   0.00     0.03   0.02  -0.07     0.01  -0.00  -0.08
    16   6     0.04  -0.05  -0.02     0.03   0.00  -0.01     0.17   0.12  -0.05
    17   6    -0.05   0.08   0.04    -0.02   0.02   0.02    -0.03   0.01   0.11
    18   1    -0.00  -0.02  -0.04    -0.02  -0.04   0.03    -0.00   0.00  -0.17
    19   1     0.00  -0.04  -0.01    -0.02   0.03   0.00     0.08   0.01  -0.10
    20   1     0.00  -0.04  -0.03    -0.03   0.04  -0.01     0.09  -0.01  -0.07
    21   1     0.07  -0.09  -0.04     0.17  -0.26  -0.11     0.15   0.24  -0.12
    22   1     0.02  -0.05  -0.06    -0.31   0.03   0.06     0.31   0.12  -0.00
    23   1     0.08  -0.05   0.03     0.21   0.30   0.03     0.15   0.04  -0.01
    24   1    -0.14   0.19   0.08     0.17  -0.34  -0.09    -0.19   0.06   0.15
    25   1     0.02   0.06   0.16    -0.02   0.38  -0.25     0.05  -0.02   0.26
    26   1    -0.09   0.06  -0.06    -0.24   0.07   0.42    -0.00   0.01   0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    307.1169               336.7965               390.9425
 Red. masses --      2.3115                 1.8960                 2.2632
 Frc consts  --      0.1285                 0.1267                 0.2038
 IR Inten    --      0.8534                 1.1205                 0.1308
 RamAct Fr= 1--      1.1160                 0.2594                 1.0953
  Dep-P Fr= 1--      0.7461                 0.3992                 0.7278
  Dep-U Fr= 1--      0.8546                 0.5706                 0.8424
 Alpha2 Fr= 1--      0.0001                 0.0019                 0.0004
 Beta2  Fr= 1--      0.1590                 0.0247                 0.1538
 AlphaG Fr= 1--      0.0038                -0.0142                -0.0004
 Gamma2 Fr= 1--      0.0023                -0.2011                -1.0827
 Delta2 Fr= 1--      0.1759                -0.0682                -0.2142
 Raman1 Fr= 1--       4.464                  1.038                  4.381
 ROA1   Fr= 1--       5.846                -21.490               -110.797
 CID1   Fr= 1--       1.310                -20.709                -25.289
 Raman2 Fr= 1--       1.908                  0.296                  1.845
 ROA2   Fr= 1--      -1.353                 -4.281                -24.272
 CID2   Fr= 1--      -0.709                -14.462                -13.152
 Raman3 Fr= 1--       3.815                  0.592                  3.691
 ROA3   Fr= 1--       5.846                -21.490               -110.797
 CID3   Fr= 1--       1.532                -36.296                -30.019
 RC180  Fr= 1--       0.709                  0.141                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07  -0.09    -0.05  -0.11   0.13    -0.03   0.01   0.07
     2   6     0.03  -0.09   0.05     0.08   0.06  -0.12    -0.07  -0.01  -0.04
     3   6     0.03  -0.06  -0.11    -0.03  -0.05   0.01     0.08   0.06  -0.04
     4   6     0.16   0.05   0.11     0.06   0.04   0.01    -0.02  -0.06  -0.04
     5   6    -0.02  -0.01  -0.08    -0.02   0.03  -0.04     0.11   0.01  -0.06
     6   6    -0.02  -0.01  -0.02     0.00   0.01   0.01     0.10  -0.10   0.01
     7   6    -0.02  -0.01   0.04    -0.01   0.03   0.03    -0.05  -0.12   0.05
     8   6    -0.08   0.06   0.00    -0.07   0.05   0.00    -0.06  -0.01   0.01
     9   1     0.03  -0.10  -0.08    -0.08  -0.20   0.25    -0.10   0.02   0.21
    10   1    -0.00  -0.04   0.15     0.26  -0.14  -0.47    -0.09  -0.08  -0.20
    11   1     0.09  -0.22   0.09     0.11   0.47  -0.20    -0.06   0.15  -0.07
    12   1     0.00   0.25   0.24     0.05   0.20  -0.08     0.06  -0.19  -0.07
    13   1     0.40  -0.02   0.19     0.03   0.02   0.01    -0.09  -0.12  -0.04
    14   1     0.24   0.05   0.17     0.24   0.03   0.09    -0.15  -0.00  -0.01
    15   1    -0.08   0.03  -0.15    -0.06   0.04  -0.07     0.19   0.04  -0.11
    16   6    -0.07   0.10   0.00    -0.01  -0.04  -0.00    -0.03   0.05   0.07
    17   6    -0.05   0.00   0.02     0.02  -0.03   0.01     0.03   0.12  -0.03
    18   1     0.00   0.02   0.12    -0.00   0.04   0.08    -0.13  -0.23   0.15
    19   1    -0.11   0.08   0.04    -0.09   0.04   0.02    -0.05  -0.07   0.01
    20   1    -0.11   0.09  -0.02    -0.10   0.07  -0.02    -0.15   0.11   0.00
    21   1    -0.18   0.33   0.07     0.03  -0.16  -0.00    -0.13   0.22   0.16
    22   1     0.14   0.10   0.10    -0.14  -0.04  -0.03     0.03   0.07   0.25
    23   1    -0.21  -0.01  -0.12     0.04   0.04   0.02    -0.16   0.09  -0.14
    24   1    -0.13   0.08   0.04     0.03  -0.09  -0.01     0.04   0.32   0.01
    25   1    -0.02  -0.05   0.11    -0.01  -0.03  -0.03     0.13   0.23   0.04
    26   1    -0.02  -0.01  -0.06     0.06  -0.02   0.06    -0.20   0.11  -0.18
                     10                     11                     12
                      A                      A                      A
 Frequencies --    397.1011               430.4228               467.2026
 Red. masses --      2.4370                 2.2223                 2.9458
 Frc consts  --      0.2264                 0.2426                 0.3788
 IR Inten    --      0.2618                 1.0229                 0.1932
 RamAct Fr= 1--      1.2523                 0.8268                 2.5718
  Dep-P Fr= 1--      0.1555                 0.7071                 0.3664
  Dep-U Fr= 1--      0.2691                 0.8285                 0.5363
 Alpha2 Fr= 1--      0.0191                 0.0006                 0.0214
 Beta2  Fr= 1--      0.0562                 0.1142                 0.2299
 AlphaG Fr= 1--      0.0236                -0.0032                 0.0126
 Gamma2 Fr= 1--      0.3616                -0.2432                -0.2077
 Delta2 Fr= 1--      0.1075                 0.0221                -0.2635
 Raman1 Fr= 1--       5.009                  3.307                 10.287
 ROA1   Fr= 1--      38.152                -22.644                -28.367
 CID1   Fr= 1--       7.616                 -6.847                 -2.758
 Raman2 Fr= 1--       0.674                  1.370                  2.758
 ROA2   Fr= 1--       7.818                 -6.015                 -2.876
 CID2   Fr= 1--      11.602                 -4.391                 -1.043
 Raman3 Fr= 1--       1.348                  2.740                  5.517
 ROA3   Fr= 1--      38.152                -22.644                -28.367
 CID3   Fr= 1--      28.306                 -8.265                 -5.142
 RC180  Fr= 1--      -0.462                  0.657                  0.073
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.05   0.04    -0.01   0.02  -0.08    -0.13  -0.05  -0.08
     2   6     0.04   0.01   0.00    -0.04   0.02  -0.07    -0.06   0.03  -0.01
     3   6     0.07   0.07  -0.00    -0.00  -0.06   0.06    -0.09  -0.03  -0.12
     4   6    -0.01  -0.02  -0.02     0.03  -0.04  -0.01    -0.05   0.04   0.00
     5   6     0.08   0.06  -0.05     0.01   0.00  -0.01    -0.05  -0.05  -0.07
     6   6     0.01  -0.01  -0.06    -0.05  -0.07  -0.02     0.12   0.03   0.08
     7   6     0.05   0.01  -0.05    -0.07  -0.05   0.04     0.03   0.01  -0.03
     8   6     0.03   0.03  -0.05     0.17   0.13   0.09     0.12   0.04  -0.03
     9   1     0.04   0.04   0.10    -0.00   0.10  -0.16    -0.12  -0.13  -0.05
    10   1     0.02   0.03   0.02    -0.09  -0.06  -0.27    -0.02   0.05   0.07
    11   1    -0.01  -0.01  -0.01     0.09   0.19  -0.07    -0.07  -0.06   0.01
    12   1     0.05  -0.13  -0.04     0.05  -0.03  -0.05    -0.12   0.15   0.06
    13   1    -0.06  -0.06  -0.02    -0.02   0.03  -0.04     0.07  -0.02   0.05
    14   1    -0.11   0.01  -0.01     0.09  -0.07  -0.05    -0.02   0.06   0.05
    15   1     0.16   0.07  -0.08     0.02   0.07  -0.13    -0.15  -0.05  -0.05
    16   6    -0.17  -0.06  -0.06     0.02   0.03  -0.01    -0.08  -0.07   0.12
    17   6    -0.07  -0.08   0.19    -0.10  -0.04   0.04     0.18   0.06   0.09
    18   1     0.06   0.03  -0.05    -0.09  -0.08   0.01    -0.03  -0.07  -0.09
    19   1    -0.01  -0.04   0.01     0.37   0.26  -0.17     0.21   0.24  -0.20
    20   1    -0.02   0.05  -0.11     0.31   0.22   0.43     0.29  -0.02   0.18
    21   1    -0.25  -0.11   0.15     0.04   0.10  -0.09    -0.16  -0.17   0.37
    22   1    -0.25  -0.06  -0.12     0.06   0.04   0.11    -0.20  -0.08   0.01
    23   1    -0.28  -0.07  -0.20     0.05   0.07  -0.01    -0.19  -0.09  -0.03
    24   1    -0.34  -0.19   0.21    -0.12  -0.01   0.04     0.23   0.07   0.08
    25   1     0.06  -0.04   0.37    -0.05   0.00   0.08     0.15   0.04   0.06
    26   1    -0.02  -0.06   0.34    -0.15  -0.04   0.03     0.19   0.05   0.07
                     13                     14                     15
                      A                      A                      A
 Frequencies --    489.6757               578.3572               629.1329
 Red. masses --      3.7393                 3.0073                 3.6147
 Frc consts  --      0.5283                 0.5927                 0.8430
 IR Inten    --      0.4536                 1.4831                 0.8058
 RamAct Fr= 1--      2.2067                 4.8887                 2.7806
  Dep-P Fr= 1--      0.4438                 0.1466                 0.5310
  Dep-U Fr= 1--      0.6148                 0.2557                 0.6937
 Alpha2 Fr= 1--      0.0139                 0.0762                 0.0118
 Beta2  Fr= 1--      0.2261                 0.2083                 0.3215
 AlphaG Fr= 1--     -0.0208                -0.0368                 0.0086
 Gamma2 Fr= 1--      0.5129                -1.0531                 1.2984
 Delta2 Fr= 1--      0.0972                -0.6866                 0.9235
 Raman1 Fr= 1--       8.827                 19.555                 11.122
 ROA1   Fr= 1--      52.349               -123.067                154.196
 CID1   Fr= 1--       5.931                 -6.293                 13.864
 Raman2 Fr= 1--       2.713                  2.500                  3.858
 ROA2   Fr= 1--      11.532                -19.782                 23.773
 CID2   Fr= 1--       4.250                 -7.912                  6.163
 Raman3 Fr= 1--       5.427                  5.000                  7.715
 ROA3   Fr= 1--      52.349               -123.067                154.196
 CID3   Fr= 1--       9.646                -24.612                 19.986
 RC180  Fr= 1--       0.230                 -0.489                  0.387
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02  -0.03    -0.02   0.02  -0.09     0.13   0.01   0.00
     2   6    -0.15  -0.06  -0.07    -0.01   0.02   0.00     0.07  -0.16  -0.09
     3   6     0.16  -0.07   0.03    -0.11  -0.14   0.24    -0.06  -0.03   0.17
     4   6     0.18  -0.18  -0.02    -0.02  -0.01   0.02    -0.07   0.07   0.03
     5   6     0.05   0.10   0.10     0.02  -0.02  -0.02     0.00   0.13  -0.06
     6   6    -0.02   0.16   0.05     0.12  -0.01  -0.09    -0.03  -0.05   0.06
     7   6    -0.18   0.09  -0.10    -0.01  -0.01   0.05     0.01  -0.05  -0.13
     8   6    -0.06   0.05  -0.01    -0.08   0.02   0.01    -0.04   0.11  -0.17
     9   1    -0.13   0.17   0.03     0.05   0.09  -0.26     0.12   0.03   0.01
    10   1    -0.09  -0.01   0.08    -0.09   0.07   0.08    -0.02  -0.03   0.14
    11   1    -0.18  -0.19  -0.06     0.05  -0.10   0.04    -0.06  -0.39  -0.08
    12   1     0.22  -0.25  -0.04     0.03   0.09  -0.13    -0.04   0.15  -0.08
    13   1     0.14  -0.17  -0.03    -0.21   0.26  -0.09    -0.20   0.25  -0.05
    14   1     0.15  -0.18  -0.03     0.29  -0.17  -0.10     0.16  -0.04  -0.05
    15   1    -0.12   0.09   0.12     0.02  -0.00  -0.05     0.10   0.16  -0.11
    16   6    -0.02  -0.05   0.02    -0.01   0.03  -0.15     0.02  -0.05   0.22
    17   6     0.07   0.05   0.03     0.14   0.06   0.05    -0.03  -0.01  -0.02
    18   1    -0.16   0.11  -0.11    -0.08  -0.11   0.16     0.08   0.06   0.01
    19   1     0.05  -0.14  -0.06    -0.17  -0.07   0.14     0.04   0.02  -0.23
    20   1    -0.11   0.15   0.02    -0.20   0.07  -0.12    -0.06   0.21  -0.10
    21   1     0.03  -0.24   0.07    -0.08   0.02   0.00     0.02  -0.05   0.22
    22   1    -0.08  -0.08  -0.28    -0.10   0.04  -0.10     0.02  -0.05   0.24
    23   1     0.03  -0.16   0.17    -0.10   0.10  -0.33     0.02  -0.06   0.22
    24   1     0.10   0.01   0.02    -0.01   0.01   0.07     0.11   0.09  -0.02
    25   1     0.02   0.02  -0.02     0.24   0.11   0.15    -0.08   0.01  -0.10
    26   1     0.13   0.06   0.07     0.12   0.06   0.11    -0.13  -0.02  -0.13
                     16                     17                     18
                      A                      A                      A
 Frequencies --    677.5980               784.1203               809.7346
 Red. masses --      3.2757                 2.5695                 1.2012
 Frc consts  --      0.8861                 0.9308                 0.4640
 IR Inten    --      0.0523                 3.0092                13.7459
 RamAct Fr= 1--     16.7690                 6.5798                 0.7624
  Dep-P Fr= 1--      0.0115                 0.1300                 0.5407
  Dep-U Fr= 1--      0.0227                 0.2301                 0.7019
 Alpha2 Fr= 1--      0.3628                 0.1070                 0.0031
 Beta2  Fr= 1--      0.0633                 0.2523                 0.0892
 AlphaG Fr= 1--      0.0843                 0.0497                -0.0642
 Gamma2 Fr= 1--      0.6294                 2.0394                -2.2445
 Delta2 Fr= 1--      0.2301                -0.1399                -1.2189
 Raman1 Fr= 1--      67.076                 26.319                  3.050
 ROA1   Fr= 1--      67.784                191.306               -254.473
 CID1   Fr= 1--       1.011                  7.269                -83.445
 Raman2 Fr= 1--       0.760                  3.028                  1.070
 ROA2   Fr= 1--      13.264                 50.065                -44.116
 CID2   Fr= 1--      17.458                 16.536                -41.220
 Raman3 Fr= 1--       1.520                  6.055                  2.141
 ROA3   Fr= 1--      67.784                191.306               -254.473
 CID3   Fr= 1--      44.607                 31.593               -118.885
 RC180  Fr= 1--      -0.955                 -0.540                  0.404
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.04  -0.04    -0.07  -0.06  -0.09     0.05   0.05  -0.05
     2   6    -0.03   0.25   0.07     0.01  -0.06  -0.07     0.02   0.04  -0.04
     3   6    -0.01  -0.07   0.06    -0.02  -0.04  -0.03     0.00   0.01   0.00
     4   6     0.11  -0.13  -0.00    -0.10   0.07   0.00     0.00  -0.01   0.02
     5   6     0.03  -0.04  -0.13     0.19   0.06  -0.01    -0.02  -0.02  -0.01
     6   6     0.01  -0.08   0.01    -0.01   0.02   0.01    -0.01   0.02   0.01
     7   6     0.09   0.12  -0.03    -0.01   0.08  -0.02    -0.02  -0.03   0.03
     8   6    -0.00   0.00  -0.02     0.07  -0.05   0.21    -0.01  -0.03  -0.00
     9   1    -0.10  -0.02   0.01    -0.17  -0.18   0.17    -0.23  -0.36   0.74
    10   1     0.01   0.32   0.24     0.07  -0.02   0.06    -0.16   0.16   0.13
    11   1    -0.06   0.06   0.10     0.09  -0.18  -0.02     0.10  -0.20   0.03
    12   1     0.16  -0.13  -0.08    -0.12   0.15  -0.02     0.05   0.02  -0.09
    13   1     0.01  -0.02  -0.05    -0.10   0.10  -0.01    -0.08   0.11  -0.04
    14   1     0.21  -0.18  -0.06    -0.04   0.05  -0.01     0.13  -0.08  -0.05
    15   1     0.06   0.03  -0.26     0.22   0.20  -0.27    -0.03  -0.04   0.03
    16   6     0.02  -0.04   0.15    -0.00   0.00   0.03    -0.01   0.01  -0.03
    17   6    -0.10  -0.05  -0.05    -0.02  -0.00  -0.02    -0.00   0.01   0.01
    18   1     0.03   0.03  -0.19     0.05   0.15  -0.20    -0.05  -0.06   0.09
    19   1    -0.20   0.01   0.19    -0.01  -0.43   0.41     0.08   0.06  -0.12
    20   1    -0.09  -0.09  -0.29    -0.19   0.05  -0.11     0.08  -0.04   0.14
    21   1     0.00   0.04   0.13     0.01  -0.02   0.01     0.00   0.00  -0.04
    22   1     0.03  -0.03   0.31     0.02  -0.01  -0.03     0.01   0.01  -0.06
    23   1     0.01   0.03   0.07     0.02  -0.04   0.08     0.01  -0.01   0.01
    24   1    -0.04  -0.01  -0.05    -0.07  -0.01  -0.01     0.02  -0.01  -0.00
    25   1    -0.12  -0.05  -0.09    -0.00   0.01  -0.00    -0.04  -0.03  -0.02
    26   1    -0.15  -0.06  -0.11    -0.04   0.00   0.00     0.05   0.01   0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    829.6739               853.3449               900.6156
 Red. masses --      2.3046                 2.5309                 2.4746
 Frc consts  --      0.9347                 1.0859                 1.1826
 IR Inten    --      0.1607                 0.7871                 3.2586
 RamAct Fr= 1--      3.3820                 7.4197                 2.2493
  Dep-P Fr= 1--      0.7448                 0.3841                 0.5422
  Dep-U Fr= 1--      0.8537                 0.5550                 0.7032
 Alpha2 Fr= 1--      0.0003                 0.0581                 0.0090
 Beta2  Fr= 1--      0.4812                 0.6864                 0.2636
 AlphaG Fr= 1--     -0.0066                 0.0399                 0.0297
 Gamma2 Fr= 1--     -0.4699                -0.2624                -2.2329
 Delta2 Fr= 1--      0.3991                 0.2560                -0.4981
 Raman1 Fr= 1--      13.528                 29.679                  8.997
 ROA1   Fr= 1--     -32.339                -17.002               -230.293
 CID1   Fr= 1--      -2.391                 -0.573                -25.596
 Raman2 Fr= 1--       5.775                  8.236                  3.163
 ROA2   Fr= 1--     -14.471                 -8.346                -49.604
 CID2   Fr= 1--      -2.506                 -1.013                -15.681
 Raman3 Fr= 1--      11.549                 16.473                  6.327
 ROA3   Fr= 1--     -32.339                -17.002               -230.293
 CID3   Fr= 1--      -2.800                 -1.032                -36.401
 RC180  Fr= 1--       0.707                  0.110                  0.406
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05  -0.01    -0.05   0.04   0.01    -0.13   0.00  -0.11
     2   6    -0.06  -0.07   0.00    -0.03  -0.09  -0.13    -0.02  -0.07   0.02
     3   6     0.00   0.01   0.04     0.04   0.04   0.00     0.00  -0.01  -0.01
     4   6     0.02  -0.01   0.01     0.02   0.00   0.01     0.00  -0.01  -0.00
     5   6     0.03  -0.04  -0.14    -0.08  -0.09   0.08     0.00   0.10   0.15
     6   6    -0.08   0.14   0.04     0.03  -0.07  -0.01     0.07   0.01  -0.03
     7   6     0.13  -0.13   0.09     0.18   0.02  -0.08     0.07   0.01   0.11
     8   6     0.04  -0.01  -0.01    -0.06   0.13   0.13     0.09   0.05  -0.15
     9   1    -0.06   0.15  -0.04    -0.18   0.11   0.20    -0.30  -0.03   0.22
    10   1    -0.22  -0.14  -0.24    -0.06   0.00   0.05    -0.03  -0.15  -0.17
    11   1    -0.04   0.13  -0.03    -0.23  -0.26  -0.15     0.20   0.10   0.05
    12   1     0.09  -0.10  -0.04     0.09  -0.12  -0.02    -0.01   0.03  -0.01
    13   1    -0.09   0.03  -0.03    -0.05  -0.01  -0.01     0.02   0.00  -0.00
    14   1    -0.00  -0.03  -0.04    -0.09   0.02  -0.02     0.03  -0.02  -0.00
    15   1     0.06  -0.02  -0.19    -0.11  -0.11   0.12    -0.09  -0.02   0.39
    16   6    -0.03   0.04   0.02     0.01  -0.01  -0.03     0.03  -0.01   0.02
    17   6    -0.02   0.05   0.01     0.01  -0.01  -0.00    -0.06  -0.04  -0.06
    18   1     0.17  -0.09   0.08     0.28   0.15  -0.19     0.05  -0.01   0.31
    19   1    -0.17   0.13   0.18    -0.28   0.45   0.28    -0.10  -0.10   0.09
    20   1    -0.06   0.01  -0.16    -0.07   0.08   0.07     0.02  -0.08  -0.43
    21   1     0.05  -0.09  -0.03    -0.02   0.04  -0.02    -0.02  -0.01   0.13
    22   1     0.03   0.00  -0.28    -0.00   0.00   0.10    -0.03  -0.00   0.08
    23   1     0.05  -0.15   0.28    -0.02   0.06  -0.12    -0.02   0.03  -0.08
    24   1     0.06  -0.13  -0.03    -0.01   0.01   0.00    -0.26  -0.08  -0.04
    25   1    -0.24  -0.23  -0.11     0.05   0.03   0.03     0.07   0.04   0.08
    26   1     0.37   0.05   0.07    -0.06  -0.02  -0.02    -0.12  -0.03   0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --    922.5495               942.0762               955.2480
 Red. masses --      2.1860                 1.8985                 1.5453
 Frc consts  --      1.0962                 0.9927                 0.8308
 IR Inten    --      0.5143                 1.5823                 0.3783
 RamAct Fr= 1--      4.7513                 1.8000                 3.9366
  Dep-P Fr= 1--      0.1614                 0.7355                 0.6036
  Dep-U Fr= 1--      0.2779                 0.8476                 0.7528
 Alpha2 Fr= 1--      0.0714                 0.0004                 0.0106
 Beta2  Fr= 1--      0.2201                 0.2543                 0.4939
 AlphaG Fr= 1--     -0.0194                -0.0020                -0.0098
 Gamma2 Fr= 1--      0.2529                 1.6761                 0.1396
 Delta2 Fr= 1--      0.4455                -0.0502                 1.0775
 Raman1 Fr= 1--      19.005                  7.200                 15.746
 ROA1   Fr= 1--      38.537                159.298                 47.878
 CID1   Fr= 1--       2.028                 22.124                  3.041
 Raman2 Fr= 1--       2.641                  3.051                  5.927
 ROA2   Fr= 1--       2.506                 40.628                 -5.270
 CID2   Fr= 1--       0.949                 13.314                 -0.889
 Raman3 Fr= 1--       5.282                  6.103                 11.855
 ROA3   Fr= 1--      38.537                159.298                 47.878
 CID3   Fr= 1--       7.296                 26.102                  4.039
 RC180  Fr= 1--      -0.444                  0.695                  0.506
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.05   0.00    -0.10   0.03  -0.01     0.00  -0.01   0.03
     2   6    -0.06  -0.04   0.02     0.06  -0.10  -0.03    -0.01   0.01  -0.04
     3   6    -0.03   0.02  -0.00     0.05   0.04   0.05    -0.01   0.00  -0.00
     4   6     0.03  -0.06  -0.02     0.04   0.04   0.04    -0.00  -0.02  -0.01
     5   6    -0.14   0.17  -0.02    -0.05  -0.00  -0.09    -0.03   0.06  -0.01
     6   6    -0.06  -0.08   0.02    -0.01  -0.02  -0.01     0.08   0.03   0.06
     7   6     0.03  -0.01   0.00    -0.05   0.12   0.06     0.03  -0.02   0.02
     8   6     0.08  -0.06   0.04    -0.01  -0.09  -0.01     0.01  -0.03   0.03
     9   1     0.01   0.00   0.16    -0.20   0.30  -0.02     0.04   0.06  -0.08
    10   1    -0.19  -0.10  -0.20     0.25  -0.11   0.05    -0.05   0.07   0.07
    11   1    -0.06   0.15  -0.02     0.24  -0.10   0.03    -0.10  -0.12  -0.04
    12   1    -0.07   0.13   0.02     0.25  -0.31  -0.07    -0.04   0.06   0.02
    13   1     0.18  -0.04   0.02    -0.24   0.05  -0.04     0.07  -0.02   0.01
    14   1     0.19  -0.08   0.04    -0.18   0.04  -0.09     0.05  -0.02   0.02
    15   1    -0.15   0.28  -0.24    -0.03   0.04  -0.19    -0.06   0.08  -0.06
    16   6    -0.02  -0.04  -0.05     0.01  -0.03  -0.01     0.09   0.05  -0.06
    17   6     0.09   0.02   0.05     0.01   0.01   0.02    -0.10  -0.05   0.03
    18   1     0.12   0.10  -0.19     0.04   0.24   0.19    -0.01  -0.06   0.10
    19   1    -0.06  -0.14   0.22     0.11   0.03  -0.18     0.04  -0.07   0.00
    20   1     0.07  -0.30  -0.24     0.20  -0.27   0.11     0.03  -0.06   0.04
    21   1    -0.02   0.13  -0.19    -0.03   0.06   0.01    -0.08  -0.14   0.46
    22   1     0.03  -0.00   0.23    -0.01  -0.00   0.17    -0.22   0.03  -0.28
    23   1     0.02   0.11  -0.11    -0.02   0.08  -0.13    -0.17   0.00  -0.40
    24   1     0.20   0.12   0.06     0.10   0.02   0.01     0.26   0.10  -0.00
    25   1     0.08   0.08  -0.01    -0.04  -0.02  -0.04    -0.30  -0.10  -0.24
    26   1    -0.02   0.01  -0.04     0.04   0.00  -0.01    -0.13  -0.07  -0.21
                     25                     26                     27
                      A                      A                      A
 Frequencies --    975.4039               976.4729              1023.2539
 Red. masses --      1.5663                 2.1247                 1.3869
 Frc consts  --      0.8780                 1.1936                 0.8556
 IR Inten    --      1.4656                 2.7724                 0.4239
 RamAct Fr= 1--      4.9483                 2.8755                 1.3116
  Dep-P Fr= 1--      0.4427                 0.7410                 0.6611
  Dep-U Fr= 1--      0.6137                 0.8512                 0.7960
 Alpha2 Fr= 1--      0.0312                 0.0004                 0.0021
 Beta2  Fr= 1--      0.5061                 0.4080                 0.1740
 AlphaG Fr= 1--     -0.0221                 0.0031                -0.0206
 Gamma2 Fr= 1--      2.8945                 0.0436                 0.3431
 Delta2 Fr= 1--      1.2390                -1.1605                -0.0242
 Raman1 Fr= 1--      19.793                 11.502                  5.246
 ROA1   Fr= 1--     317.517                -32.954                 32.163
 CID1   Fr= 1--      16.042                 -2.865                  6.131
 Raman2 Fr= 1--       6.073                  4.895                  2.088
 ROA2   Fr= 1--      59.555                 10.329                  8.428
 CID2   Fr= 1--       9.806                  2.110                  4.036
 Raman3 Fr= 1--      12.147                  9.791                  4.176
 ROA3   Fr= 1--     317.517                -32.954                 32.163
 CID3   Fr= 1--      26.140                 -3.366                  7.702
 RC180  Fr= 1--       0.227                  0.702                  0.592
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.02  -0.07    -0.12  -0.02  -0.03     0.04  -0.02  -0.02
     2   6    -0.03  -0.05   0.12     0.06   0.04   0.01    -0.03  -0.00   0.02
     3   6     0.02  -0.01   0.02    -0.00  -0.01  -0.01     0.02  -0.02   0.01
     4   6    -0.01   0.03   0.03     0.01   0.00  -0.00    -0.00   0.03  -0.01
     5   6     0.01  -0.07  -0.02     0.07   0.02   0.06     0.02  -0.04   0.03
     6   6     0.00  -0.00  -0.00    -0.09  -0.08   0.11    -0.02  -0.00  -0.00
     7   6    -0.06   0.04  -0.05     0.04  -0.04  -0.01    -0.03   0.02  -0.02
     8   6    -0.00   0.03  -0.00    -0.00   0.06  -0.08     0.02   0.04  -0.02
     9   1    -0.02  -0.13   0.20    -0.10  -0.03  -0.06     0.03  -0.11   0.07
    10   1     0.04  -0.24  -0.28     0.15   0.07   0.12     0.01  -0.03  -0.04
    11   1     0.18   0.37   0.09     0.11  -0.06   0.04    -0.01   0.07   0.01
    12   1     0.08  -0.09  -0.04     0.03  -0.06  -0.00     0.01  -0.04   0.03
    13   1    -0.15   0.08  -0.02    -0.03  -0.02  -0.01    -0.02  -0.04   0.01
    14   1    -0.07   0.01  -0.05    -0.05   0.02  -0.01    -0.12   0.08   0.01
    15   1    -0.02  -0.11   0.05     0.19   0.01   0.08     0.03  -0.07   0.07
    16   6     0.03   0.03   0.01    -0.07   0.02  -0.11     0.04  -0.09  -0.02
    17   6     0.01  -0.05   0.03     0.03  -0.02   0.12    -0.04   0.09   0.04
    18   1     0.00   0.12  -0.34     0.06  -0.02   0.01    -0.06  -0.03  -0.08
    19   1    -0.13   0.16   0.10     0.01  -0.04  -0.07    -0.01  -0.09   0.05
    20   1    -0.05   0.00  -0.12    -0.11   0.19  -0.10    -0.11   0.16  -0.11
    21   1    -0.01  -0.12   0.22     0.04   0.08  -0.38    -0.08   0.17   0.03
    22   1    -0.09   0.01  -0.22     0.08   0.01  -0.09    -0.04  -0.02   0.43
    23   1    -0.06  -0.07  -0.04     0.06  -0.01   0.09    -0.03   0.20  -0.35
    24   1     0.19   0.18   0.05     0.54   0.29   0.10     0.16  -0.14  -0.04
    25   1     0.02   0.11  -0.07    -0.15   0.03  -0.19    -0.34  -0.27  -0.15
    26   1    -0.26  -0.06  -0.16    -0.17  -0.06  -0.23     0.42   0.08   0.05
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1037.8759              1061.1462              1066.4346
 Red. masses --      1.4686                 2.2427                 1.5612
 Frc consts  --      0.9321                 1.4879                 1.0461
 IR Inten    --      4.0711                 1.1779                 0.4633
 RamAct Fr= 1--      3.1192                 6.2619                 1.2980
  Dep-P Fr= 1--      0.1198                 0.1701                 0.6009
  Dep-U Fr= 1--      0.2140                 0.2908                 0.7507
 Alpha2 Fr= 1--      0.0520                 0.0919                 0.0036
 Beta2  Fr= 1--      0.1112                 0.3035                 0.1624
 AlphaG Fr= 1--      0.0536                 0.0734                -0.0482
 Gamma2 Fr= 1--      0.8636                 0.6188                -1.0548
 Delta2 Fr= 1--      0.2235                -0.2579                 0.2188
 Raman1 Fr= 1--      12.477                 25.048                  5.192
 ROA1   Fr= 1--      90.057                 51.150                -94.262
 CID1   Fr= 1--       7.218                  2.042                -18.156
 Raman2 Fr= 1--       1.335                  3.642                  1.949
 ROA2   Fr= 1--      18.937                 16.915                -27.066
 CID2   Fr= 1--      14.188                  4.644                -13.888
 Raman3 Fr= 1--       2.669                  7.284                  3.898
 ROA3   Fr= 1--      90.057                 51.150                -94.262
 CID3   Fr= 1--      33.736                  7.023                -24.184
 RC180  Fr= 1--      -0.572                 -0.418                  0.501
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.06  -0.00     0.11  -0.05   0.06     0.01  -0.06   0.02
     2   6    -0.01  -0.05   0.02    -0.10   0.01  -0.11    -0.04   0.01   0.00
     3   6    -0.02   0.02  -0.01     0.03  -0.04   0.01     0.06   0.03  -0.12
     4   6    -0.06  -0.10  -0.04    -0.04   0.04  -0.02    -0.05  -0.02   0.14
     5   6     0.09  -0.03  -0.01     0.04  -0.11  -0.03     0.02   0.03   0.01
     6   6    -0.01  -0.00  -0.00    -0.01  -0.01   0.00     0.01   0.01   0.03
     7   6     0.01   0.07   0.01    -0.04   0.15   0.12     0.01   0.01   0.01
     8   6    -0.06  -0.03  -0.01     0.07   0.04  -0.05    -0.00  -0.01  -0.00
     9   1    -0.10   0.20   0.07     0.14  -0.03  -0.02     0.14  -0.04  -0.23
    10   1     0.07  -0.11  -0.08    -0.36   0.11   0.00    -0.08   0.00  -0.04
    11   1     0.01   0.10  -0.00    -0.21  -0.15  -0.10    -0.10   0.03  -0.02
    12   1    -0.29   0.39   0.02    -0.09   0.06   0.06     0.15   0.05  -0.26
    13   1     0.27   0.02   0.02     0.04  -0.05   0.02    -0.42   0.51  -0.09
    14   1     0.37  -0.16   0.09    -0.10   0.09   0.05     0.32  -0.31  -0.23
    15   1     0.37  -0.10   0.14     0.03  -0.14   0.01    -0.07  -0.03   0.12
    16   6     0.01  -0.02  -0.01    -0.03   0.00  -0.01    -0.01  -0.02  -0.02
    17   6    -0.01   0.01   0.01     0.01  -0.04   0.04    -0.01  -0.00  -0.00
    18   1     0.12   0.22   0.01    -0.02   0.20   0.44     0.02   0.02  -0.04
    19   1     0.01   0.22  -0.17    -0.09   0.05   0.12    -0.03   0.08  -0.01
    20   1     0.08  -0.04   0.21     0.10  -0.24  -0.34     0.04  -0.05   0.02
    21   1    -0.01   0.03   0.00     0.02   0.02  -0.13    -0.01   0.07  -0.08
    22   1    -0.00  -0.00   0.07     0.05  -0.00  -0.01     0.02  -0.01   0.10
    23   1    -0.00   0.04  -0.06     0.04  -0.02   0.11     0.01   0.05  -0.05
    24   1     0.05  -0.01  -0.00     0.16   0.14   0.05    -0.01  -0.01  -0.00
    25   1    -0.07  -0.05  -0.03     0.00   0.07  -0.05    -0.02  -0.02  -0.01
    26   1     0.05   0.01  -0.01    -0.18  -0.05  -0.11    -0.01  -0.00  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1086.6866              1111.3851              1129.0156
 Red. masses --      1.4705                 1.4141                 1.4185
 Frc consts  --      1.0231                 1.0291                 1.0653
 IR Inten    --      1.6984                 2.6691                 2.1166
 RamAct Fr= 1--      1.3677                 6.1334                 0.5841
  Dep-P Fr= 1--      0.4218                 0.3474                 0.7383
  Dep-U Fr= 1--      0.5933                 0.5156                 0.8495
 Alpha2 Fr= 1--      0.0094                 0.0543                 0.0001
 Beta2  Fr= 1--      0.1352                 0.5271                 0.0827
 AlphaG Fr= 1--      0.0256                -0.0538                -0.0013
 Gamma2 Fr= 1--     -0.7849                 0.7348                -0.4339
 Delta2 Fr= 1--     -1.1226                 0.7344                 0.1905
 Raman1 Fr= 1--       5.471                 24.534                  2.336
 ROA1   Fr= 1--    -111.278                 94.043                -35.561
 CID1   Fr= 1--     -20.340                  3.833                -15.220
 Raman2 Fr= 1--       1.623                  6.325                  0.992
 ROA2   Fr= 1--      -9.858                 11.761                -11.939
 CID2   Fr= 1--      -6.074                  1.859                -12.030
 Raman3 Fr= 1--       3.246                 12.650                  1.985
 ROA3   Fr= 1--    -111.278                 94.043                -35.561
 CID3   Fr= 1--     -34.283                  7.434                -17.917
 RC180  Fr= 1--       0.187                  0.031                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.07     0.01  -0.07  -0.02    -0.02  -0.01   0.04
     2   6     0.06  -0.00  -0.05    -0.04   0.02  -0.02     0.03   0.02  -0.03
     3   6     0.03   0.04  -0.02     0.03  -0.05   0.04    -0.03   0.00   0.01
     4   6    -0.04  -0.04   0.00     0.00   0.05  -0.02     0.02   0.00  -0.02
     5   6    -0.05  -0.05  -0.01     0.04   0.11  -0.01     0.03   0.03  -0.08
     6   6    -0.01  -0.02  -0.03     0.03  -0.00   0.03    -0.05   0.07   0.01
     7   6    -0.10  -0.03   0.00     0.00  -0.01   0.01    -0.03  -0.04   0.06
     8   6     0.09   0.04   0.01    -0.04  -0.04  -0.00     0.03  -0.05  -0.01
     9   1    -0.10   0.34   0.01     0.03  -0.08  -0.05     0.04  -0.00  -0.08
    10   1     0.17   0.06   0.16     0.02   0.02   0.03    -0.32   0.11   0.01
    11   1     0.41  -0.20   0.09     0.12  -0.05   0.04     0.21  -0.14   0.05
    12   1    -0.10   0.17  -0.03    -0.01  -0.05   0.06     0.01  -0.04   0.03
    13   1     0.07   0.08  -0.00    -0.01  -0.08   0.01     0.04  -0.07   0.01
    14   1     0.19  -0.10   0.01    -0.16   0.12   0.03    -0.04   0.04   0.02
    15   1    -0.02  -0.08   0.05     0.22   0.03   0.16    -0.17  -0.20   0.39
    16   6    -0.00   0.01   0.02    -0.02  -0.00  -0.02     0.03  -0.04  -0.01
    17   6     0.01   0.02   0.01    -0.02   0.01  -0.01     0.03  -0.04  -0.01
    18   1    -0.28  -0.28  -0.20    -0.14  -0.22  -0.28     0.22   0.28  -0.34
    19   1    -0.20   0.12   0.29    -0.25   0.59   0.04    -0.05   0.08   0.03
    20   1    -0.04  -0.05  -0.31     0.25  -0.40   0.06    -0.16   0.30   0.09
    21   1     0.01  -0.04   0.04     0.01   0.03  -0.08    -0.05   0.08   0.07
    22   1     0.00   0.00  -0.06     0.03  -0.00   0.01    -0.05  -0.01   0.18
    23   1    -0.01  -0.04   0.05     0.02   0.01   0.03    -0.02   0.10  -0.18
    24   1     0.05  -0.01  -0.00    -0.03  -0.05  -0.02    -0.05   0.09   0.03
    25   1    -0.04  -0.03  -0.02    -0.04  -0.05   0.01     0.14   0.12   0.04
    26   1     0.07   0.02  -0.01     0.03   0.01   0.01    -0.16  -0.03  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1152.6812              1193.6617              1213.7031
 Red. masses --      1.5978                 1.6600                 1.7645
 Frc consts  --      1.2508                 1.3935                 1.5314
 IR Inten    --      3.7470                 1.4320                 1.8796
 RamAct Fr= 1--      6.3110                 8.1110                 4.8247
  Dep-P Fr= 1--      0.5546                 0.7278                 0.6612
  Dep-U Fr= 1--      0.7135                 0.8425                 0.7960
 Alpha2 Fr= 1--      0.0235                 0.0031                 0.0076
 Beta2  Fr= 1--      0.7505                 1.1389                 0.6401
 AlphaG Fr= 1--     -0.0027                -0.0169                -0.0007
 Gamma2 Fr= 1--     -2.2055                 1.3222                -0.7778
 Delta2 Fr= 1--     -0.3504                 0.5154                 0.0481
 Raman1 Fr= 1--      25.244                 32.444                 19.299
 ROA1   Fr= 1--    -222.945                143.419                -73.127
 CID1   Fr= 1--      -8.832                  4.421                 -3.789
 Raman2 Fr= 1--       9.006                 13.667                  7.681
 ROA2   Fr= 1--     -50.129                 27.609                -19.051
 CID2   Fr= 1--      -5.566                  2.020                 -2.480
 Raman3 Fr= 1--      18.011                 27.333                 15.362
 ROA3   Fr= 1--    -222.945                143.419                -73.127
 CID3   Fr= 1--     -12.378                  5.247                 -4.760
 RC180  Fr= 1--       0.427                  0.685                  0.592
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02   0.02    -0.02  -0.05   0.02    -0.01   0.00   0.02
     2   6     0.03  -0.00  -0.03    -0.02   0.06   0.01    -0.01  -0.01  -0.01
     3   6    -0.10   0.06  -0.04     0.15  -0.07   0.01    -0.03   0.01   0.01
     4   6     0.06  -0.03   0.02    -0.07   0.03  -0.01     0.01  -0.00  -0.00
     5   6     0.00  -0.01   0.07    -0.01  -0.03   0.07    -0.00   0.05  -0.05
     6   6    -0.08  -0.05  -0.07    -0.03  -0.05  -0.00     0.14  -0.13  -0.07
     7   6    -0.04  -0.01   0.01     0.03  -0.02   0.02    -0.01   0.03   0.02
     8   6    -0.00   0.03  -0.01    -0.06   0.02  -0.05    -0.02   0.01   0.03
     9   1     0.16  -0.31  -0.14    -0.12   0.24   0.03     0.06  -0.08  -0.05
    10   1    -0.29   0.06  -0.04    -0.37   0.11  -0.07    -0.22   0.01  -0.07
    11   1     0.11  -0.09   0.02     0.35  -0.03   0.13     0.16  -0.02   0.04
    12   1     0.17  -0.18  -0.05    -0.16   0.19   0.03     0.03  -0.04   0.01
    13   1    -0.02  -0.02  -0.00    -0.03   0.07  -0.01     0.01  -0.03   0.00
    14   1     0.02  -0.05  -0.05    -0.06   0.05   0.03     0.00   0.00   0.00
    15   1     0.59   0.08  -0.08    -0.13   0.22  -0.42    -0.25  -0.17   0.39
    16   6     0.05   0.03   0.03     0.02   0.02   0.00    -0.07   0.06   0.02
    17   6     0.03   0.04   0.00     0.01   0.02  -0.01    -0.05   0.06   0.04
    18   1     0.11   0.20  -0.01     0.22   0.23  -0.24     0.14   0.24  -0.21
    19   1    -0.05   0.06   0.03     0.08  -0.07  -0.18     0.13  -0.22  -0.06
    20   1     0.10  -0.18  -0.09     0.04  -0.04   0.04    -0.00   0.00   0.05
    21   1    -0.01  -0.10   0.25     0.00  -0.06   0.10     0.09  -0.14  -0.15
    22   1    -0.10   0.01  -0.13    -0.05   0.01  -0.10     0.13   0.01  -0.18
    23   1    -0.07  -0.07  -0.08    -0.04  -0.04  -0.05     0.04  -0.13   0.29
    24   1     0.02  -0.03  -0.01    -0.03  -0.05  -0.02     0.14  -0.13  -0.04
    25   1     0.03  -0.01   0.04     0.03  -0.02   0.05    -0.25  -0.18  -0.10
    26   1     0.15   0.04   0.05     0.10   0.03   0.06     0.21   0.03  -0.06
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1234.4480              1242.7799              1253.3456
 Red. masses --      1.7740                 2.5212                 1.7032
 Frc consts  --      1.5928                 2.2943                 1.5764
 IR Inten    --      3.0845                 1.3219                 4.5013
 RamAct Fr= 1--      3.7583                 1.5160                 4.9595
  Dep-P Fr= 1--      0.7272                 0.3447                 0.2157
  Dep-U Fr= 1--      0.8421                 0.5127                 0.3549
 Alpha2 Fr= 1--      0.0015                 0.0135                 0.0646
 Beta2  Fr= 1--      0.5275                 0.1295                 0.2934
 AlphaG Fr= 1--     -0.0027                -0.0218                 0.0312
 Gamma2 Fr= 1--      0.1407                -0.8438                 1.0378
 Delta2 Fr= 1--      0.5465                -0.2759                -0.9423
 Raman1 Fr= 1--      15.033                  6.064                 19.838
 ROA1   Fr= 1--      30.997                -89.835                 69.478
 CID1   Fr= 1--       2.062                -14.814                  3.502
 Raman2 Fr= 1--       6.329                  1.555                  3.520
 ROA2   Fr= 1--      -0.994                -18.044                 32.446
 CID2   Fr= 1--      -0.157                -11.607                  9.217
 Raman3 Fr= 1--      12.659                  3.109                  7.041
 ROA3   Fr= 1--      30.997                -89.835                 69.478
 CID3   Fr= 1--       2.449                -28.893                  9.868
 RC180  Fr= 1--       0.684                  0.025                 -0.290
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.02  -0.04     0.05   0.01   0.03     0.00  -0.03   0.01
     2   6    -0.04   0.03  -0.02    -0.05  -0.05  -0.03    -0.04  -0.01  -0.00
     3   6     0.06  -0.03   0.00    -0.10   0.03  -0.01     0.01   0.01  -0.01
     4   6    -0.02   0.02   0.01     0.03  -0.01   0.01     0.01   0.00   0.01
     5   6    -0.05   0.05  -0.01    -0.05  -0.06   0.02    -0.07   0.02   0.06
     6   6    -0.09  -0.13  -0.01     0.13  -0.02   0.25     0.04   0.04  -0.13
     7   6    -0.00   0.02   0.09    -0.02   0.07   0.05     0.06   0.07  -0.03
     8   6     0.06  -0.08  -0.04     0.04  -0.02  -0.08     0.03  -0.13  -0.01
     9   1    -0.05   0.05   0.06     0.04   0.02   0.02     0.01  -0.01  -0.02
    10   1     0.46   0.00   0.18     0.00  -0.05   0.00    -0.23   0.00  -0.09
    11   1    -0.39   0.04  -0.12     0.20  -0.02   0.04     0.28  -0.01   0.09
    12   1    -0.02   0.04  -0.00     0.09  -0.11  -0.01     0.02  -0.01  -0.01
    13   1    -0.05   0.05  -0.01     0.02  -0.06   0.01    -0.01   0.01   0.00
    14   1    -0.03   0.02  -0.00     0.02  -0.02  -0.02    -0.01   0.00  -0.01
    15   1     0.11  -0.05   0.18     0.31   0.13  -0.34     0.23   0.14  -0.16
    16   6     0.04   0.06   0.01    -0.04   0.02  -0.07    -0.03  -0.01   0.03
    17   6     0.03   0.04  -0.01    -0.03   0.00  -0.08    -0.01  -0.02   0.05
    18   1     0.08   0.14  -0.03    -0.01   0.06  -0.38    -0.14  -0.20   0.20
    19   1    -0.09   0.17   0.05    -0.00  -0.01  -0.04    -0.12   0.24   0.04
    20   1    -0.21   0.38   0.06    -0.17   0.35  -0.00    -0.27   0.52   0.24
    21   1     0.03  -0.14   0.17     0.03   0.05  -0.24     0.01  -0.02  -0.03
    22   1    -0.10   0.03  -0.23     0.07   0.00  -0.15     0.08  -0.01   0.09
    23   1    -0.09  -0.14  -0.02     0.01   0.07  -0.06     0.05  -0.01   0.14
    24   1    -0.02  -0.07  -0.02    -0.29  -0.15  -0.07     0.17   0.07   0.03
    25   1     0.07  -0.03   0.09     0.04  -0.09   0.11    -0.08   0.04  -0.10
    26   1     0.15   0.05   0.10    -0.02   0.02   0.14    -0.05  -0.04  -0.14
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1281.4980              1298.6113              1340.7720
 Red. masses --      1.4709                 1.9056                 1.6557
 Frc consts  --      1.4232                 1.8934                 1.7536
 IR Inten    --      0.2336                 2.6780                 1.1064
 RamAct Fr= 1--      0.3255                 8.2046                 5.9592
  Dep-P Fr= 1--      0.4066                 0.4736                 0.7021
  Dep-U Fr= 1--      0.5781                 0.6428                 0.8250
 Alpha2 Fr= 1--      0.0024                 0.0456                 0.0050
 Beta2  Fr= 1--      0.0314                 0.8789                 0.8193
 AlphaG Fr= 1--     -0.0029                 0.0083                -0.0004
 Gamma2 Fr= 1--      0.1925                 1.1346                -0.0071
 Delta2 Fr= 1--      0.1138                 0.1579                -0.9795
 Raman1 Fr= 1--       1.302                 32.818                 23.837
 ROA1   Fr= 1--      22.120                113.971                -32.025
 CID1   Fr= 1--      16.990                  3.473                 -1.344
 Raman2 Fr= 1--       0.376                 10.547                  9.832
 ROA2   Fr= 1--       3.709                 25.967                  7.666
 CID2   Fr= 1--       9.855                  2.462                  0.780
 Raman3 Fr= 1--       0.753                 21.095                 19.664
 ROA3   Fr= 1--      22.120                113.971                -32.025
 CID3   Fr= 1--      29.389                  5.403                 -1.629
 RC180  Fr= 1--       0.156                  0.286                  0.650
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.06   0.00    -0.00  -0.02   0.02     0.00  -0.04  -0.02
     2   6     0.05  -0.01   0.01    -0.01  -0.00   0.03     0.12   0.04   0.06
     3   6     0.03   0.03   0.03     0.01  -0.01   0.00     0.01  -0.07  -0.03
     4   6    -0.02  -0.02  -0.02    -0.00   0.01  -0.00     0.01   0.02   0.01
     5   6     0.05  -0.01   0.04     0.01   0.03  -0.07    -0.07   0.02  -0.02
     6   6     0.04  -0.03   0.03    -0.09  -0.10   0.12     0.08   0.03   0.02
     7   6    -0.09  -0.04  -0.06     0.05   0.07  -0.16    -0.09  -0.06  -0.06
     8   6     0.05  -0.06  -0.02     0.02  -0.01   0.04     0.04  -0.00   0.02
     9   1     0.17  -0.39  -0.13    -0.02   0.07  -0.01    -0.26   0.44   0.13
    10   1    -0.01   0.01   0.01    -0.33   0.01  -0.13    -0.32   0.09  -0.07
    11   1    -0.08   0.02  -0.03     0.37   0.05   0.13    -0.35   0.09  -0.08
    12   1    -0.06   0.06   0.01    -0.01  -0.00   0.01    -0.00   0.02   0.01
    13   1     0.07   0.01   0.00    -0.02  -0.01  -0.00    -0.10  -0.00  -0.01
    14   1     0.05  -0.00   0.05    -0.01   0.01   0.00    -0.08   0.02  -0.05
    15   1    -0.42   0.14  -0.26    -0.06  -0.16   0.30     0.43  -0.03   0.11
    16   6    -0.01   0.00  -0.01     0.03   0.03  -0.03    -0.02  -0.01   0.01
    17   6    -0.02   0.02  -0.01     0.03   0.04  -0.04    -0.02   0.00  -0.00
    18   1     0.14   0.30   0.27    -0.15  -0.17   0.56     0.14   0.28   0.18
    19   1    -0.24   0.43   0.15     0.02   0.02   0.04    -0.09   0.07   0.14
    20   1    -0.04   0.05  -0.04    -0.05   0.06   0.00    -0.01   0.00  -0.05
    21   1     0.01   0.00  -0.05     0.01  -0.03   0.06     0.02   0.04  -0.11
    22   1     0.03  -0.00  -0.03    -0.11   0.02  -0.11     0.06  -0.02  -0.03
    23   1     0.01   0.01   0.00    -0.08  -0.07  -0.11     0.02   0.06   0.00
    24   1    -0.02  -0.06  -0.02    -0.15  -0.09  -0.03    -0.02  -0.03  -0.01
    25   1    -0.04  -0.06   0.01     0.06  -0.09   0.11    -0.03  -0.01  -0.02
    26   1     0.05   0.02   0.01     0.02   0.05   0.14     0.00  -0.00  -0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1361.5675              1372.1529              1402.8340
 Red. masses --      1.8975                 1.6416                 1.2610
 Frc consts  --      2.0726                 1.8211                 1.4621
 IR Inten    --      2.8217                 1.3475                 9.2935
 RamAct Fr= 1--     10.4287                 2.0440                 0.3845
  Dep-P Fr= 1--      0.2518                 0.7359                 0.5020
  Dep-U Fr= 1--      0.4023                 0.8479                 0.6685
 Alpha2 Fr= 1--      0.1230                 0.0005                 0.0019
 Beta2  Fr= 1--      0.6992                 0.2888                 0.0428
 AlphaG Fr= 1--      0.0774                -0.0028                -0.0076
 Gamma2 Fr= 1--      1.9047                -0.7192                 0.6742
 Delta2 Fr= 1--      1.1481                -0.5908                 0.1622
 Raman1 Fr= 1--      41.715                  8.176                  1.538
 ROA1   Fr= 1--     219.593                -87.945                 69.908
 CID1   Fr= 1--       5.264                -10.756                 45.451
 Raman2 Fr= 1--       8.391                  3.466                  0.514
 ROA2   Fr= 1--      36.529                -12.534                 14.883
 CID2   Fr= 1--       4.354                 -3.616                 28.949
 Raman3 Fr= 1--      16.781                  6.932                  1.028
 ROA3   Fr= 1--     219.593                -87.945                 69.908
 CID3   Fr= 1--      13.086                -12.686                 67.991
 RC180  Fr= 1--      -0.195                  0.696                  0.337
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00  -0.02    -0.08   0.03  -0.02     0.00  -0.00  -0.00
     2   6    -0.07   0.02  -0.01     0.14  -0.06   0.02    -0.00   0.01   0.00
     3   6     0.16   0.03   0.08     0.09   0.02   0.04     0.00  -0.00   0.00
     4   6    -0.04  -0.01  -0.02    -0.01  -0.03  -0.02    -0.01   0.01   0.00
     5   6    -0.15  -0.01  -0.07    -0.03  -0.01  -0.02    -0.01  -0.00  -0.01
     6   6     0.04   0.05   0.02    -0.02  -0.02   0.02     0.02   0.00   0.03
     7   6    -0.00  -0.05  -0.03     0.01   0.09   0.05    -0.01  -0.01  -0.01
     8   6     0.01   0.04   0.04    -0.00  -0.00  -0.01     0.00   0.00   0.01
     9   1     0.21  -0.48  -0.16     0.07  -0.26  -0.10    -0.01   0.02   0.00
    10   1     0.23  -0.03   0.04    -0.44  -0.01  -0.16     0.01  -0.01  -0.02
    11   1     0.23  -0.05   0.08    -0.43   0.01  -0.16     0.02  -0.01   0.01
    12   1    -0.10   0.10   0.01    -0.09   0.13   0.02     0.02  -0.04  -0.01
    13   1     0.08   0.11  -0.02     0.01   0.11  -0.04     0.03  -0.03   0.02
    14   1     0.02   0.05   0.13    -0.04   0.05   0.10     0.04  -0.02  -0.02
    15   1     0.49  -0.12   0.16     0.05  -0.03   0.02     0.04  -0.01   0.00
    16   6    -0.01  -0.02   0.01     0.00   0.01  -0.02    -0.01   0.02  -0.11
    17   6     0.00  -0.02  -0.01     0.01   0.00  -0.01    -0.08  -0.03  -0.03
    18   1     0.16   0.17   0.13    -0.32  -0.37  -0.32     0.03   0.04   0.03
    19   1     0.09  -0.22   0.02     0.07  -0.03  -0.09     0.03   0.02  -0.02
    20   1    -0.00  -0.03  -0.05    -0.06   0.05  -0.05    -0.04  -0.00  -0.07
    21   1     0.01   0.04  -0.08    -0.01  -0.03   0.05    -0.15  -0.14   0.36
    22   1     0.04  -0.01  -0.01    -0.02   0.02   0.03     0.00   0.07   0.42
    23   1     0.01   0.07  -0.04     0.01  -0.05   0.04     0.18  -0.20   0.37
    24   1    -0.04   0.03   0.01    -0.02  -0.01  -0.01     0.30   0.17  -0.04
    25   1     0.02   0.04  -0.02     0.02  -0.03   0.03     0.22   0.21   0.21
    26   1    -0.03  -0.01  -0.00    -0.03   0.01   0.04     0.35  -0.01   0.14
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1413.4226              1421.7239              1477.6208
 Red. masses --      1.2997                 1.2194                 1.0453
 Frc consts  --      1.5298                 1.4522                 1.3447
 IR Inten    --      2.8448                 6.8577                 7.7361
 RamAct Fr= 1--      7.9063                 0.1615                 5.4953
  Dep-P Fr= 1--      0.3811                 0.7277                 0.7329
  Dep-U Fr= 1--      0.5519                 0.8424                 0.8459
 Alpha2 Fr= 1--      0.0626                 0.0001                 0.0016
 Beta2  Fr= 1--      0.7272                 0.0227                 0.7747
 AlphaG Fr= 1--     -0.0053                 0.0006                -0.0243
 Gamma2 Fr= 1--      0.3534                -0.3820                -0.1421
 Delta2 Fr= 1--      0.2544                -0.1069                 0.0456
 Raman1 Fr= 1--      31.625                  0.646                 21.981
 ROA1   Fr= 1--      42.070                -40.096                -12.184
 CID1   Fr= 1--       1.330                -62.061                 -0.554
 Raman2 Fr= 1--       8.727                  0.272                  9.297
 ROA2   Fr= 1--       6.447                 -8.313                 -3.775
 CID2   Fr= 1--       0.739                -30.550                 -0.406
 Raman3 Fr= 1--      17.454                  0.544                 18.593
 ROA3   Fr= 1--      42.070                -40.096                -12.184
 CID3   Fr= 1--       2.410                -73.670                 -0.655
 RC180  Fr= 1--       0.104                  0.685                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6     0.02  -0.00   0.01     0.01  -0.01   0.00    -0.00   0.00   0.00
     3   6     0.04  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.01  -0.02
     4   6    -0.12   0.10   0.00     0.00  -0.00  -0.00     0.02   0.02  -0.05
     5   6    -0.01   0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00   0.01
     6   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   6     0.00   0.01   0.00     0.01   0.01  -0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00    -0.00  -0.01   0.01     0.00   0.00   0.00
     9   1    -0.01  -0.02  -0.01     0.00  -0.01  -0.00    -0.00   0.00   0.01
    10   1    -0.06   0.01  -0.02    -0.04   0.00   0.00     0.01  -0.01  -0.02
    11   1    -0.06   0.01  -0.02    -0.00   0.02  -0.01    -0.01  -0.02   0.00
    12   1     0.21  -0.45  -0.12    -0.01  -0.00   0.01    -0.22  -0.30   0.61
    13   1     0.36  -0.40   0.22    -0.01  -0.00  -0.00    -0.46  -0.02  -0.14
    14   1     0.53  -0.21  -0.18     0.00   0.00   0.01     0.44   0.02   0.25
    15   1     0.01  -0.00   0.01    -0.04  -0.01   0.02     0.00   0.01  -0.01
    16   6    -0.00  -0.00   0.01     0.00  -0.02   0.09    -0.00   0.00  -0.00
    17   6     0.01   0.00   0.00    -0.09  -0.04  -0.03     0.00   0.00   0.00
    18   1    -0.02  -0.03  -0.02    -0.04  -0.05  -0.00     0.00   0.00   0.00
    19   1     0.01   0.00  -0.01     0.05   0.04  -0.06     0.00  -0.00  -0.00
    20   1    -0.01   0.00  -0.01    -0.05  -0.00  -0.07    -0.00   0.00  -0.00
    21   1     0.01   0.00  -0.03     0.12   0.11  -0.29    -0.00  -0.01   0.01
    22   1     0.01  -0.01  -0.04     0.03  -0.07  -0.35     0.01   0.00   0.01
    23   1    -0.02   0.03  -0.04    -0.13   0.20  -0.30     0.00   0.01  -0.00
    24   1    -0.02  -0.01   0.00     0.36   0.20  -0.04    -0.01   0.00   0.00
    25   1    -0.02  -0.02  -0.01     0.26   0.29   0.22    -0.01  -0.00  -0.01
    26   1    -0.03   0.00  -0.01     0.43  -0.02   0.12    -0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1479.4212              1483.9079              1488.2273
 Red. masses --      1.0845                 1.0540                 1.0597
 Frc consts  --      1.3985                 1.3674                 1.3828
 IR Inten    --      3.6327                 3.4684                 4.3720
 RamAct Fr= 1--     22.2593                 1.3736                12.3847
  Dep-P Fr= 1--      0.5898                 0.5459                 0.4483
  Dep-U Fr= 1--      0.7420                 0.7062                 0.6190
 Alpha2 Fr= 1--      0.0665                 0.0054                 0.0764
 Beta2  Fr= 1--      2.7526                 0.1617                 1.2778
 AlphaG Fr= 1--      0.0521                -0.0032                -0.0529
 Gamma2 Fr= 1--     -6.3766                 2.3274                 3.2734
 Delta2 Fr= 1--     -4.7942                 0.7044                 2.3694
 Raman1 Fr= 1--      89.037                  5.494                 49.539
 ROA1   Fr= 1--    -765.568                245.970                390.068
 CID1   Fr= 1--      -8.598                 44.768                  7.874
 Raman2 Fr= 1--      33.031                  1.940                 15.333
 ROA2   Fr= 1--    -114.685                 50.222                 59.607
 CID2   Fr= 1--      -3.472                 25.886                  3.887
 Raman3 Fr= 1--      66.062                  3.880                 30.667
 ROA3   Fr= 1--    -765.568                245.970                390.068
 CID3   Fr= 1--     -11.589                 63.391                 12.720
 RC180  Fr= 1--       0.484                  0.412                  0.238
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.00     0.00  -0.01  -0.00     0.01  -0.03  -0.01
     2   6     0.00  -0.07  -0.03    -0.01   0.00  -0.00     0.00   0.01   0.01
     3   6     0.01  -0.01  -0.00    -0.00   0.00  -0.00    -0.02   0.01  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.04  -0.02  -0.02
     5   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.02    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.00   0.01  -0.02    -0.00  -0.01   0.02     0.00  -0.00  -0.01
     9   1     0.02  -0.04  -0.01    -0.01   0.01   0.00    -0.05   0.08   0.02
    10   1    -0.14   0.25   0.55     0.01   0.01   0.03    -0.01  -0.01  -0.05
    11   1     0.10   0.61  -0.11     0.01   0.02  -0.00    -0.03  -0.04   0.01
    12   1    -0.02  -0.00   0.03     0.01  -0.01  -0.01     0.19  -0.36  -0.13
    13   1    -0.03  -0.02  -0.00     0.01   0.03  -0.00     0.31   0.53  -0.05
    14   1     0.02  -0.01  -0.01    -0.01   0.01   0.02     0.06   0.25   0.54
    15   1     0.01  -0.00   0.01    -0.01   0.00   0.01    -0.03   0.01  -0.01
    16   6     0.01  -0.01  -0.01    -0.03  -0.03  -0.01     0.01  -0.01  -0.00
    17   6    -0.01   0.00   0.01     0.01   0.02  -0.03    -0.01   0.01   0.01
    18   1    -0.00  -0.02  -0.01     0.01  -0.00   0.01     0.01   0.01   0.01
    19   1    -0.07  -0.09   0.10     0.09   0.08  -0.12    -0.02  -0.01   0.02
    20   1     0.08  -0.00   0.12    -0.09  -0.01  -0.14     0.02   0.00   0.03
    21   1    -0.11   0.20   0.07    -0.18   0.03   0.30    -0.04   0.11  -0.00
    22   1    -0.13  -0.01  -0.09     0.34  -0.06  -0.23    -0.09  -0.00  -0.04
    23   1     0.11   0.04   0.12     0.28   0.46   0.06     0.03  -0.01   0.04
    24   1     0.02  -0.13  -0.03     0.24  -0.01  -0.06     0.03  -0.14  -0.03
    25   1     0.05   0.08   0.04     0.01  -0.35   0.25     0.05   0.05   0.05
    26   1     0.04  -0.02  -0.16    -0.27   0.04   0.20     0.02  -0.01  -0.14
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1493.6754              1500.4946              1514.7652
 Red. masses --      1.0496                 1.0785                 1.0686
 Frc consts  --      1.3798                 1.4307                 1.4446
 IR Inten    --      6.3682                 0.4811                 8.2523
 RamAct Fr= 1--      2.7774                 6.7468                 4.6232
  Dep-P Fr= 1--      0.5819                 0.6387                 0.7368
  Dep-U Fr= 1--      0.7357                 0.7795                 0.8485
 Alpha2 Fr= 1--      0.0087                 0.0136                 0.0010
 Beta2  Fr= 1--      0.3406                 0.8765                 0.6538
 AlphaG Fr= 1--     -0.0163                 0.0120                 0.0022
 Gamma2 Fr= 1--      1.1579                -2.8864                 0.1613
 Delta2 Fr= 1--      0.3060                -0.6277                -0.5198
 Raman1 Fr= 1--      11.110                 26.987                 18.493
 ROA1   Fr= 1--     120.950               -297.184                 -1.153
 CID1   Fr= 1--      10.887                -11.012                 -0.062
 Raman2 Fr= 1--       4.087                 10.518                  7.845
 ROA2   Fr= 1--      25.342                -64.253                  8.029
 CID2   Fr= 1--       6.201                 -6.109                  1.023
 Raman3 Fr= 1--       8.173                 21.037                 15.690
 ROA3   Fr= 1--     120.950               -297.184                 -1.153
 CID3   Fr= 1--      14.798                -14.127                 -0.074
 RC180  Fr= 1--       0.471                  0.559                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
     2   6     0.00  -0.02  -0.01     0.01   0.01   0.01     0.00  -0.00  -0.00
     3   6    -0.01  -0.00  -0.00     0.01   0.00   0.00     0.01  -0.00  -0.00
     4   6    -0.01  -0.01  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00   0.01     0.00  -0.00  -0.01     0.00  -0.01  -0.01
     6   6     0.01  -0.00  -0.01    -0.03  -0.03   0.02    -0.01   0.02  -0.00
     7   6    -0.00  -0.01  -0.00    -0.00   0.02  -0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.00   0.01     0.00   0.01  -0.04     0.00   0.02  -0.05
     9   1    -0.01   0.02   0.01     0.00  -0.01  -0.00     0.01  -0.01  -0.00
    10   1    -0.06   0.11   0.22     0.00  -0.04  -0.10    -0.01   0.01   0.01
    11   1     0.03   0.25  -0.05    -0.03  -0.10   0.01    -0.00   0.02  -0.01
    12   1     0.05  -0.10  -0.04    -0.00   0.02  -0.01     0.00  -0.01  -0.00
    13   1     0.08   0.15  -0.02     0.00  -0.01   0.00     0.01   0.02  -0.00
    14   1     0.01   0.07   0.15    -0.01  -0.00  -0.01     0.00   0.01   0.02
    15   1    -0.01   0.01   0.00    -0.02  -0.02   0.01     0.01  -0.01  -0.01
    16   6    -0.02   0.02   0.00    -0.03  -0.01  -0.01    -0.01   0.02   0.01
    17   6     0.02  -0.03  -0.02     0.00  -0.02   0.02    -0.02   0.02  -0.02
    18   1     0.01   0.01   0.00    -0.03  -0.02   0.00    -0.01  -0.01   0.00
    19   1     0.01   0.04  -0.02    -0.19  -0.17   0.24    -0.25  -0.24   0.32
    20   1    -0.02  -0.01  -0.03     0.18   0.02   0.29     0.24   0.01   0.37
    21   1     0.11  -0.28  -0.03    -0.09  -0.14   0.25     0.16  -0.29  -0.10
    22   1     0.21   0.01   0.11     0.39  -0.04  -0.14     0.15   0.02   0.17
    23   1    -0.10  -0.02  -0.11     0.17   0.36  -0.03    -0.18  -0.09  -0.16
    24   1    -0.17   0.50   0.12    -0.24   0.02   0.05     0.34  -0.08  -0.09
    25   1    -0.19  -0.08  -0.26     0.00   0.31  -0.23     0.10  -0.24   0.32
    26   1     0.04   0.04   0.46     0.27  -0.03  -0.15    -0.21   0.02   0.07
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1518.9781              1722.3592              3000.3474
 Red. masses --      1.0613                 6.5420                 1.0596
 Frc consts  --      1.4428                11.4342                 5.6199
 IR Inten    --      4.6538                 1.7235                45.9987
 RamAct Fr= 1--      3.6011                50.5653               184.6139
  Dep-P Fr= 1--      0.5495                 0.1342                 0.1539
  Dep-U Fr= 1--      0.7092                 0.2367                 0.2668
 Alpha2 Fr= 1--      0.0138                 0.8134                 2.8256
 Beta2  Fr= 1--      0.4257                 1.9946                 8.2089
 AlphaG Fr= 1--     -0.0120                 0.0613                 0.1411
 Gamma2 Fr= 1--     -1.3763                -0.4636                -2.9997
 Delta2 Fr= 1--     -0.1669                -0.4573                -0.9993
 Raman1 Fr= 1--      14.404                202.261                738.456
 ROA1   Fr= 1--    -137.468                -59.141               -319.948
 CID1   Fr= 1--      -9.544                 -0.292                 -0.433
 Raman2 Fr= 1--       5.108                 23.935                 98.507
 ROA2   Fr= 1--     -31.696                 -7.468                -63.997
 CID2   Fr= 1--      -6.205                 -0.312                 -0.650
 Raman3 Fr= 1--      10.216                 47.870                197.014
 ROA3   Fr= 1--    -137.468                -59.141               -319.948
 CID3   Fr= 1--     -13.456                 -1.235                 -1.624
 RC180  Fr= 1--       0.418                 -0.527                 -0.466
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.05  -0.43  -0.19     0.00  -0.00   0.00
     2   6     0.00   0.01   0.01    -0.00   0.04   0.02     0.01  -0.06  -0.04
     3   6     0.00   0.00   0.00    -0.01   0.47   0.22     0.00   0.00   0.00
     4   6    -0.00   0.00   0.00     0.03  -0.05  -0.02     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.01  -0.05  -0.02     0.00  -0.00  -0.00
     6   6     0.02  -0.02  -0.01    -0.00   0.00   0.01    -0.00   0.00  -0.00
     7   6    -0.00   0.01   0.00     0.00  -0.01  -0.01    -0.01   0.01  -0.00
     8   6     0.00   0.01  -0.04     0.00   0.01  -0.00     0.00   0.00  -0.00
     9   1     0.00  -0.00  -0.00    -0.36   0.23  -0.02    -0.03  -0.01  -0.02
    10   1     0.02  -0.06  -0.13    -0.17   0.10   0.07     0.14   0.54  -0.27
    11   1    -0.03  -0.14   0.02    -0.13   0.15  -0.04    -0.21   0.12   0.73
    12   1    -0.01   0.01   0.01    -0.09   0.17   0.05    -0.00  -0.00  -0.00
    13   1    -0.01  -0.02   0.00     0.05  -0.21   0.04    -0.00   0.00   0.00
    14   1     0.01  -0.01  -0.02     0.11  -0.13  -0.13     0.00   0.00  -0.00
    15   1    -0.01  -0.00   0.00    -0.27  -0.01  -0.11    -0.00   0.01   0.00
    16   6     0.02  -0.03   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    17   6     0.00  -0.01  -0.02    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    18   1    -0.01   0.01  -0.01     0.03   0.04   0.03     0.09  -0.07   0.00
    19   1    -0.17  -0.15   0.22    -0.02  -0.04   0.03     0.00  -0.00   0.00
    20   1     0.15   0.02   0.25     0.03  -0.00   0.03    -0.00  -0.00   0.00
    21   1    -0.16   0.46  -0.00     0.02  -0.01  -0.03    -0.02  -0.01  -0.01
    22   1    -0.37  -0.02  -0.19    -0.00   0.00  -0.00     0.00   0.02  -0.00
    23   1     0.14  -0.03   0.21    -0.02  -0.01  -0.02     0.02  -0.01  -0.01
    24   1     0.04   0.34   0.05     0.00  -0.01  -0.00     0.00   0.00  -0.00
    25   1    -0.10  -0.15  -0.06     0.01   0.01   0.01     0.00   0.00  -0.00
    26   1    -0.01   0.04   0.37     0.00  -0.00  -0.01    -0.00   0.00  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3008.6110              3017.9762              3021.8101
 Red. masses --      1.0378                 1.1009                 1.0401
 Frc consts  --      5.5349                 5.9080                 5.5957
 IR Inten    --     31.9145                24.2602                17.0159
 RamAct Fr= 1--    236.8694               116.6408                16.8868
  Dep-P Fr= 1--      0.0469                 0.6800                 0.4462
  Dep-U Fr= 1--      0.0895                 0.8095                 0.6171
 Alpha2 Fr= 1--      4.7139                 0.1439                 0.1051
 Beta2  Fr= 1--      3.5346                15.7377                 1.7367
 AlphaG Fr= 1--     -0.1260                 0.4388                 0.0090
 Gamma2 Fr= 1--     -1.1884                 8.7662                -0.5261
 Delta2 Fr= 1--      1.7574                -1.3983                 0.9608
 Raman1 Fr= 1--     947.478                466.563                 67.547
 ROA1   Fr= 1--     -57.854                796.814                -19.758
 CID1   Fr= 1--      -0.061                  1.708                 -0.293
 Raman2 Fr= 1--      42.415                188.852                 20.841
 ROA2   Fr= 1--     -42.582                221.576                -20.312
 CID2   Fr= 1--      -1.004                  1.173                 -0.975
 Raman3 Fr= 1--      84.831                377.705                 41.681
 ROA3   Fr= 1--     -57.854                796.814                -19.758
 CID3   Fr= 1--      -0.682                  2.110                 -0.474
 RC180  Fr= 1--      -0.821                  0.619                  0.234
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.03  -0.05   0.07    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.02  -0.05  -0.01    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     8   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.01   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   1     0.00  -0.00   0.00     0.16   0.69  -0.30     0.00   0.01  -0.00
    11   1     0.00  -0.00  -0.00     0.17  -0.12  -0.59     0.01  -0.01  -0.04
    12   1    -0.30  -0.14  -0.18     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   1    -0.15   0.12   0.60     0.00  -0.00  -0.00    -0.00   0.00   0.01
    14   1     0.19   0.57  -0.30     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.00  -0.04  -0.02     0.00   0.00   0.00    -0.00  -0.00  -0.00
    16   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.02  -0.02   0.03
    17   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.03   0.02  -0.01
    18   1    -0.00   0.00   0.00     0.02  -0.01  -0.00    -0.01   0.00   0.00
    19   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.01
    20   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.01  -0.00   0.00
    21   1     0.00   0.00   0.00     0.02   0.01   0.01    -0.21  -0.08  -0.08
    22   1    -0.00  -0.01   0.00    -0.00  -0.02   0.00     0.02   0.53  -0.05
    23   1    -0.00   0.00   0.00    -0.03   0.02   0.02     0.40  -0.22  -0.26
    24   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02   0.05  -0.21
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.31   0.16   0.22
    26   1    -0.00  -0.01   0.00    -0.00  -0.01   0.00     0.00  -0.40   0.05
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3028.4016              3047.1656              3053.5525
 Red. masses --      1.0401                 1.0989                 1.0846
 Frc consts  --      5.6204                 6.0119                 5.9583
 IR Inten    --     61.0392                20.3318                62.6711
 RamAct Fr= 1--    293.4136                85.5504               162.4100
  Dep-P Fr= 1--      0.0315                 0.7436                 0.2835
  Dep-U Fr= 1--      0.0610                 0.8530                 0.4417
 Alpha2 Fr= 1--      6.0559                 0.0093                 1.7492
 Beta2  Fr= 1--      2.9854                12.1618                11.9565
 AlphaG Fr= 1--      0.1239                -0.1704                 0.3885
 Gamma2 Fr= 1--      2.4988                -2.3734                 9.6195
 Delta2 Fr= 1--      0.1382                -2.2500                 5.3765
 Raman1 Fr= 1--    1173.654                342.202                649.640
 ROA1   Fr= 1--     244.311               -299.845               1095.516
 CID1   Fr= 1--       0.208                 -0.876                  1.686
 Raman2 Fr= 1--      35.824                145.942                143.478
 ROA2   Fr= 1--      58.866                -38.961                187.855
 CID2   Fr= 1--       1.643                 -0.267                  1.309
 Raman3 Fr= 1--      71.649                291.884                286.956
 ROA3   Fr= 1--     244.311               -299.845               1095.516
 CID3   Fr= 1--       3.410                 -1.027                  3.818
 RC180  Fr= 1--      -0.878                  0.706                 -0.117
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.01   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.03   0.04  -0.08    -0.00  -0.00   0.00
     5   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.07   0.05  -0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.01
     9   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.01   0.00   0.01
    10   1     0.00   0.02  -0.01     0.00   0.00  -0.00    -0.02  -0.08   0.04
    11   1     0.01  -0.01  -0.03     0.00  -0.00  -0.00     0.02  -0.01  -0.08
    12   1    -0.00  -0.00  -0.00    -0.01   0.00  -0.03     0.00   0.00   0.00
    13   1    -0.00   0.00   0.01    -0.16   0.17   0.68    -0.00   0.00   0.00
    14   1     0.00   0.00  -0.00    -0.19  -0.60   0.29     0.00   0.01  -0.00
    15   1    -0.00  -0.05  -0.02     0.00  -0.01  -0.00    -0.00  -0.01  -0.01
    16   6    -0.01  -0.02   0.03     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    17   6    -0.04  -0.02   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    18   1    -0.07   0.05  -0.00     0.00  -0.00   0.00     0.78  -0.56   0.02
    19   1    -0.02  -0.01  -0.02    -0.00  -0.00  -0.00    -0.11  -0.03  -0.09
    20   1     0.02   0.02  -0.01     0.00   0.00  -0.00     0.11   0.08  -0.06
    21   1    -0.16  -0.06  -0.07     0.01   0.00   0.00    -0.02  -0.01  -0.01
    22   1     0.02   0.41  -0.04     0.00   0.01  -0.00     0.00   0.03  -0.00
    23   1     0.31  -0.17  -0.20    -0.02   0.01   0.01     0.03  -0.02  -0.02
    24   1     0.03  -0.06   0.28    -0.00   0.00  -0.00     0.01  -0.01   0.03
    25   1     0.40  -0.21  -0.28    -0.00   0.00   0.00     0.00   0.00  -0.00
    26   1    -0.00   0.50  -0.06    -0.00  -0.00   0.00     0.00   0.06  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3064.3729              3069.4316              3074.6471
 Red. masses --      1.0818                 1.1008                 1.0691
 Frc consts  --      5.9850                 6.1105                 5.9546
 IR Inten    --     46.0989                 1.7060                32.9305
 RamAct Fr= 1--     73.2566                23.1572               235.4375
  Dep-P Fr= 1--      0.5545                 0.7496                 0.0172
  Dep-U Fr= 1--      0.7134                 0.8569                 0.0339
 Alpha2 Fr= 1--      0.2730                 0.0002                 5.0253
 Beta2  Fr= 1--      8.7102                 3.3071                 1.3285
 AlphaG Fr= 1--      0.0621                 0.0028                -1.1860
 Gamma2 Fr= 1--    -16.6278                 8.6608                -5.5839
 Delta2 Fr= 1--    -10.4213                 4.8278                 0.2238
 Raman1 Fr= 1--     293.026                 92.629                941.750
 ROA1   Fr= 1--   -1929.754                985.930               -528.897
 CID1   Fr= 1--      -6.586                 10.644                 -0.562
 Raman2 Fr= 1--     104.522                 39.685                 15.942
 ROA2   Fr= 1--    -315.698                169.237               -135.805
 CID2   Fr= 1--      -3.020                  4.264                 -8.519
 Raman3 Fr= 1--     209.044                 79.370                 31.884
 ROA3   Fr= 1--   -1929.754                985.930               -528.897
 CID3   Fr= 1--      -9.231                 12.422                -16.588
 RC180  Fr= 1--       0.427                  0.714                 -0.932
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.07  -0.04    -0.00   0.00   0.00    -0.00   0.03   0.01
     6   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.00
     8   6    -0.01  -0.01   0.02     0.00   0.00  -0.00    -0.02  -0.03   0.05
     9   1     0.01   0.00   0.01     0.00   0.00   0.00    -0.01  -0.00  -0.01
    10   1     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.01   0.02  -0.01
    11   1     0.00   0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.02
    12   1    -0.05  -0.02  -0.03    -0.00  -0.00  -0.00     0.01   0.00   0.01
    13   1    -0.01   0.00   0.02     0.00  -0.00  -0.01     0.00  -0.00  -0.01
    14   1     0.00   0.01  -0.01     0.00   0.01  -0.01    -0.00  -0.00   0.00
    15   1    -0.01   0.81   0.41     0.00  -0.05  -0.03     0.00  -0.33  -0.16
    16   6     0.00  -0.00   0.00     0.03  -0.07  -0.02     0.00  -0.00  -0.00
    17   6    -0.00   0.01  -0.00    -0.02   0.04   0.01     0.01  -0.00  -0.01
    18   1    -0.05   0.04  -0.00     0.03  -0.02   0.00    -0.15   0.11  -0.00
    19   1    -0.17  -0.05  -0.14     0.02   0.01   0.01    -0.31  -0.09  -0.27
    20   1     0.23   0.16  -0.13    -0.02  -0.02   0.01     0.58   0.41  -0.33
    21   1    -0.01  -0.01  -0.01     0.02  -0.02  -0.00     0.00  -0.00  -0.00
    22   1     0.00   0.04  -0.00     0.04   0.61  -0.07     0.00   0.03  -0.00
    23   1    -0.01   0.00   0.00    -0.47   0.24   0.32    -0.06   0.03   0.04
    24   1     0.01  -0.01   0.04    -0.01   0.01  -0.01     0.02  -0.02   0.09
    25   1     0.04  -0.02  -0.03     0.25  -0.12  -0.17    -0.11   0.05   0.07
    26   1     0.00  -0.06   0.01    -0.00  -0.33   0.05     0.00  -0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3077.0610              3098.7079              3109.9307
 Red. masses --      1.0999                 1.0989                 1.0998
 Frc consts  --      6.1357                 6.2171                 6.2672
 IR Inten    --     59.0396                24.4589                29.4901
 RamAct Fr= 1--    136.0737                82.1523                25.7083
  Dep-P Fr= 1--      0.7244                 0.6809                 0.6258
  Dep-U Fr= 1--      0.8402                 0.8102                 0.7698
 Alpha2 Fr= 1--      0.0599                 0.1000                 0.0582
 Beta2  Fr= 1--     19.0537                11.0931                 3.2984
 AlphaG Fr= 1--      0.0342                 0.1086                -0.0210
 Gamma2 Fr= 1--     -2.7572                 0.8242                 0.1443
 Delta2 Fr= 1--      0.4382                 0.7232                -0.9705
 Raman1 Fr= 1--     544.295                328.609                102.833
 ROA1   Fr= 1--    -250.671                102.267                -17.206
 CID1   Fr= 1--      -0.461                  0.311                 -0.167
 Raman2 Fr= 1--     228.645                133.117                 39.581
 ROA2   Fr= 1--     -69.678                 13.995                 11.227
 CID2   Fr= 1--      -0.305                  0.105                  0.284
 Raman3 Fr= 1--     457.290                266.234                 79.163
 ROA3   Fr= 1--    -250.671                102.267                -17.206
 CID3   Fr= 1--      -0.548                  0.384                 -0.217
 RC180  Fr= 1--       0.680                  0.620                  0.540
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00    -0.06  -0.05  -0.05     0.00   0.00   0.00
     5   6    -0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00   0.00  -0.01     0.00   0.00   0.00     0.04   0.02   0.01
     9   1     0.00   0.00   0.00    -0.03  -0.01  -0.01    -0.00  -0.00  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   1    -0.02  -0.01  -0.01     0.75   0.32   0.43    -0.01  -0.00  -0.00
    13   1     0.00  -0.00  -0.01    -0.08   0.05   0.25     0.00  -0.00  -0.00
    14   1     0.00   0.01  -0.00     0.06   0.21  -0.13    -0.00  -0.00   0.00
    15   1    -0.00   0.09   0.05     0.00   0.04   0.02    -0.00  -0.01  -0.01
    16   6     0.02  -0.04  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   6     0.04  -0.07  -0.02     0.00  -0.00  -0.00     0.00   0.03  -0.08
    18   1    -0.01   0.01  -0.00    -0.01   0.00   0.00    -0.01   0.01  -0.00
    19   1     0.03   0.01   0.03    -0.01  -0.00  -0.01    -0.21  -0.06  -0.20
    20   1    -0.07  -0.05   0.04    -0.00  -0.00   0.00    -0.22  -0.16   0.13
    21   1     0.01  -0.01  -0.00    -0.00  -0.00  -0.00     0.03   0.01   0.01
    22   1     0.02   0.33  -0.04     0.00   0.01  -0.00     0.00  -0.00   0.00
    23   1    -0.25   0.13   0.17    -0.01   0.00   0.00     0.00  -0.00  -0.00
    24   1     0.01  -0.02   0.00     0.00  -0.00   0.01     0.12  -0.17   0.82
    25   1    -0.46   0.22   0.32    -0.01   0.00   0.00    -0.17   0.09   0.10
    26   1     0.01   0.62  -0.08     0.00   0.00  -0.00     0.00  -0.23   0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3128.0291              3132.1987              3149.9978
 Red. masses --      1.0947                 1.1010                 1.0905
 Frc consts  --      6.3106                 6.3642                 6.3750
 IR Inten    --     13.1850                47.5982                24.9582
 RamAct Fr= 1--     48.8526               105.4396               157.9053
  Dep-P Fr= 1--      0.4845                 0.4924                 0.2510
  Dep-U Fr= 1--      0.6527                 0.6599                 0.4013
 Alpha2 Fr= 1--      0.2589                 0.5393                 1.8660
 Beta2  Fr= 1--      5.3145                11.5958                10.5621
 AlphaG Fr= 1--      0.4044                 0.0165                -0.1215
 Gamma2 Fr= 1--      5.0048                -1.8337                 1.0463
 Delta2 Fr= 1--      0.2596                 1.7247                 1.0568
 Raman1 Fr= 1--     195.410                421.758                631.621
 ROA1   Fr= 1--     488.767               -120.847                134.258
 CID1   Fr= 1--       2.501                 -0.287                  0.213
 Raman2 Fr= 1--      63.774                139.150                126.745
 ROA2   Fr= 1--     118.037                -57.806                 16.656
 CID2   Fr= 1--       1.851                 -0.415                  0.131
 Raman3 Fr= 1--     127.548                278.300                253.490
 ROA3   Fr= 1--     488.767               -120.847                134.258
 CID3   Fr= 1--       3.832                 -0.434                  0.530
 RC180  Fr= 1--       0.305                  0.320                 -0.197
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.07  -0.03  -0.04
     2   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.01   0.00   0.00    -0.07  -0.03  -0.03     0.00   0.00   0.00
     9   1     0.01   0.00   0.00     0.02   0.01   0.01     0.83   0.31   0.45
    10   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.02  -0.01
    11   1    -0.00   0.00   0.01     0.00   0.00   0.00    -0.01   0.01   0.02
    12   1     0.00   0.00   0.00     0.01   0.00   0.00     0.03   0.01   0.02
    13   1    -0.00   0.00   0.00    -0.00   0.00   0.01     0.00  -0.00   0.00
    14   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.00  -0.00   0.00    -0.00   0.05   0.02    -0.00  -0.01  -0.01
    16   6    -0.08  -0.03  -0.02    -0.01  -0.00  -0.00     0.00   0.00   0.00
    17   6     0.00  -0.00   0.01    -0.00   0.01  -0.03     0.00  -0.00   0.00
    18   1    -0.00   0.00   0.00     0.04  -0.03  -0.00    -0.01   0.00  -0.00
    19   1    -0.06  -0.02  -0.05     0.59   0.17   0.53    -0.01  -0.00  -0.01
    20   1    -0.01  -0.01   0.01     0.29   0.21  -0.18    -0.00  -0.00   0.00
    21   1     0.82   0.30   0.37     0.08   0.03   0.04    -0.01  -0.00  -0.00
    22   1    -0.01   0.20  -0.03    -0.00   0.02  -0.00    -0.00  -0.00   0.00
    23   1     0.14  -0.09  -0.11     0.01  -0.01  -0.01    -0.00   0.00   0.00
    24   1    -0.01   0.01  -0.06     0.06  -0.08   0.37    -0.00   0.00  -0.00
    25   1     0.01  -0.01  -0.00    -0.06   0.03   0.04    -0.00   0.00   0.00
    26   1     0.00   0.02   0.00     0.00  -0.08   0.00    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Molecular mass:   136.12520 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   927.017381463.814421595.54340
           X            0.99999  -0.00503   0.00113
           Y            0.00502   0.99996   0.00796
           Z           -0.00117  -0.00796   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.09343     0.05917     0.05428
 Rotational constants (GHZ):           1.94683     1.23290     1.13111
 Zero-point vibrational energy     617927.4 (Joules/Mol)
                                  147.68819 (Kcal/Mol)
 Warning -- explicit consideration of  14 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    178.96   261.98   280.58   293.83   323.92
          (Kelvin)            380.22   441.87   484.58   562.48   571.34
                              619.28   672.20   704.53   832.13   905.18
                              974.91  1128.17  1165.03  1193.72  1227.77
                             1295.78  1327.34  1355.44  1374.39  1403.39
                             1404.93  1472.23  1493.27  1526.75  1534.36
                             1563.50  1599.04  1624.40  1658.45  1717.41
                             1746.25  1776.10  1788.08  1803.28  1843.79
                             1868.41  1929.07  1958.99  1974.22  2018.37
                             2033.60  2045.54  2125.97  2128.56  2135.01
                             2141.23  2149.07  2158.88  2179.41  2185.47
                             2478.09  4316.83  4328.72  4342.19  4347.71
                             4357.19  4384.19  4393.38  4408.95  4416.23
                             4423.73  4427.20  4458.35  4474.50  4500.54
                             4506.54  4532.14
 
 Zero-point correction=                           0.235356 (Hartree/Particle)
 Thermal correction to Energy=                    0.245170
 Thermal correction to Enthalpy=                  0.246114
 Thermal correction to Gibbs Free Energy=         0.201678
 Sum of electronic and zero-point Energies=           -390.613306
 Sum of electronic and thermal Energies=              -390.603492
 Sum of electronic and thermal Enthalpies=            -390.602548
 Sum of electronic and thermal Free Energies=         -390.646984
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  153.846             40.194             93.523
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.637
 Rotational               0.889              2.981             29.161
 Vibrational            152.069             34.232             23.725
 Vibration     1          0.610              1.929              3.031
 Vibration     2          0.630              1.864              2.307
 Vibration     3          0.636              1.847              2.180
 Vibration     4          0.640              1.834              2.095
 Vibration     5          0.650              1.803              1.917
 Vibration     6          0.671              1.738              1.633
 Vibration     7          0.697              1.660              1.378
 Vibration     8          0.718              1.602              1.227
 Vibration     9          0.759              1.490              0.997
 Vibration    10          0.764              1.476              0.973
 Vibration    11          0.792              1.404              0.857
 Vibration    12          0.824              1.323              0.745
 Vibration    13          0.846              1.273              0.684
 Vibration    14          0.935              1.078              0.488
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.171709D-92        -92.765208       -213.599785
 Total V=0       0.309734D+16         15.490989         35.669321
 Vib (Bot)       0.522208-106       -106.282156       -244.723709
 Vib (Bot)    1  0.164124D+01          0.215173          0.495455
 Vib (Bot)    2  0.110226D+01          0.042285          0.097365
 Vib (Bot)    3  0.102439D+01          0.010466          0.024099
 Vib (Bot)    4  0.974768D+00         -0.011099         -0.025556
 Vib (Bot)    5  0.876683D+00         -0.057158         -0.131610
 Vib (Bot)    6  0.733426D+00         -0.134644         -0.310028
 Vib (Bot)    7  0.616729D+00         -0.209906         -0.483325
 Vib (Bot)    8  0.552439D+00         -0.257716         -0.593413
 Vib (Bot)    9  0.458916D+00         -0.338267         -0.778889
 Vib (Bot)   10  0.449793D+00         -0.346987         -0.798967
 Vib (Bot)   11  0.404674D+00         -0.392894         -0.904673
 Vib (Bot)   12  0.361879D+00         -0.441436         -1.016445
 Vib (Bot)   13  0.338699D+00         -0.470186         -1.082644
 Vib (Bot)   14  0.263907D+00         -0.578549         -1.332159
 Vib (V=0)       0.941978D+02          1.974041          4.545396
 Vib (V=0)    1  0.221572D+01          0.345514          0.795576
 Vib (V=0)    2  0.171036D+01          0.233089          0.536707
 Vib (V=0)    3  0.163990D+01          0.214818          0.494637
 Vib (V=0)    4  0.159552D+01          0.202903          0.467202
 Vib (V=0)    5  0.150924D+01          0.178759          0.411609
 Vib (V=0)    6  0.138765D+01          0.142278          0.327608
 Vib (V=0)    7  0.129395D+01          0.111917          0.257699
 Vib (V=0)    8  0.124511D+01          0.095208          0.219224
 Vib (V=0)    9  0.117868D+01          0.071395          0.164393
 Vib (V=0)   10  0.117254D+01          0.069129          0.159175
 Vib (V=0)   11  0.114324D+01          0.058138          0.133869
 Vib (V=0)   12  0.111722D+01          0.048137          0.110841
 Vib (V=0)   13  0.110392D+01          0.042937          0.098866
 Vib (V=0)   14  0.106537D+01          0.027502          0.063325
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.624254D+08          7.795362         17.949484
 Rotational      0.526729D+06          5.721587         13.174441
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000020756    0.000016571   -0.000003148
      2        6           0.000002715   -0.000033736    0.000014781
      3        6          -0.000039220    0.000021345   -0.000006710
      4        6          -0.000000937    0.000001069   -0.000000928
      5        6           0.000081735    0.000008569    0.000036076
      6        6          -0.000020464    0.000016095   -0.000040666
      7        6          -0.000007164    0.000024953    0.000020334
      8        6          -0.000000954   -0.000032311   -0.000023921
      9        1          -0.000002528   -0.000001739   -0.000001447
     10        1           0.000002334   -0.000001214   -0.000000994
     11        1           0.000007878    0.000003379    0.000000668
     12        1           0.000002619   -0.000003657   -0.000003788
     13        1           0.000000185   -0.000001572   -0.000002097
     14        1          -0.000000453   -0.000003442   -0.000001043
     15        1          -0.000002661   -0.000000993    0.000001116
     16        6          -0.000008622    0.000000885   -0.000002009
     17        6           0.000009320    0.000005739   -0.000004485
     18        1           0.000000273    0.000000900    0.000004453
     19        1          -0.000007618   -0.000004873   -0.000015285
     20        1           0.000000492    0.000003088   -0.000002365
     21        1           0.000003390   -0.000026953    0.000019612
     22        1           0.000000131    0.000001526   -0.000002214
     23        1          -0.000000722    0.000000653    0.000005664
     24        1           0.000003820    0.000004735    0.000002413
     25        1          -0.000001258    0.000002318   -0.000001236
     26        1          -0.000001535   -0.000001338    0.000007220
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000081735 RMS     0.000015694
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.123128D+03 -0.323275D+00  0.461942D+00
      2  -0.323275D+00  0.120242D+03  0.472302D+01
      3   0.461942D+00  0.472302D+01  0.107899D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.183353D+00  0.264593D+01  0.494075D+01
      2   0.399151D+01  0.157689D+02 -0.356894D+01
      3   0.775286D+01 -0.237967D+02 -0.148213D+02
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.118109D+02 -0.384797D+02  0.809646D+00
      2   0.490622D+01  0.199215D+02  0.764755D+01
      3  -0.167172D+02  0.185582D+02 -0.845720D+01
      4  -0.382523D+02  0.359071D+02  0.268857D+02
      5   0.133715D+02  0.242887D+02 -0.189814D+02
      6   0.985629D+01  0.181377D+02  0.735737D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.332538D+01  0.253735D+00 -0.153421D+01  0.206340D+01 -0.368767D+00
      2   0.253735D+00 -0.426822D+00 -0.253893D+01 -0.368767D+00  0.165456D+02
      3  -0.153421D+01 -0.253893D+01 -0.209667D+01 -0.193419D+01  0.327265D+01
                 6             7             8             9            10 
      1  -0.193419D+01 -0.844390D+00 -0.306063D+01 -0.188568D+01  0.816585D+00
      2   0.327265D+01 -0.306063D+01  0.236815D+01  0.391748D+01  0.814837D+00
      3   0.311191D+01 -0.188568D+01  0.391748D+01  0.583266D+01  0.492824D+00
                11            12            13            14            15 
      1   0.814837D+00  0.492824D+00  0.184550D+01  0.290044D+00  0.193454D+01
      2   0.832112D+00  0.324839D+01  0.290044D+00 -0.107631D+02  0.498922D+00
      3   0.324839D+01  0.278051D+01  0.193454D+01  0.498922D+00 -0.112516D+01
                16            17            18            19            20 
      1   0.104244D+01  0.306459D+01  0.290597D+01  0.198954D+01 -0.254968D+01
      2   0.306459D+01  0.233986D+01 -0.371853D+01 -0.254968D+01  0.127766D+01
      3   0.290597D+01 -0.371853D+01 -0.559879D+01 -0.358929D+00  0.110476D+01
                21            22            23            24            25 
      1  -0.358929D+00 -0.267492D+01  0.107285D+01  0.127494D+01 -0.101696D+01
      2   0.110476D+01  0.107285D+01 -0.164167D+02 -0.439675D+01  0.364630D+00
      3   0.718665D+00  0.127494D+01 -0.439675D+01 -0.421432D+01  0.146089D+01
                26            27            28            29            30 
      1   0.364630D+00  0.146089D+01 -0.424141D+01 -0.752738D+00 -0.122761D+01
      2  -0.463015D+01 -0.399616D+01 -0.752738D+00 -0.384962D+00 -0.272710D+01
      3  -0.399616D+01 -0.451155D+01 -0.122761D+01 -0.272710D+01 -0.251778D+01
                31            32            33            34            35 
      1  -0.247832D+01 -0.221968D+01 -0.257631D+01 -0.149056D+01 -0.272459D+01
      2  -0.221968D+01  0.956054D+01 -0.311980D+00 -0.272459D+01 -0.880968D+00
      3  -0.257631D+01 -0.311980D+00  0.162450D+01 -0.417813D+01  0.378744D+01
                36            37            38            39            40 
      1  -0.417813D+01  0.444248D+01  0.182208D+01 -0.264232D+01 -0.226494D+01
      2   0.378744D+01  0.182208D+01  0.975526D+00 -0.102075D+01  0.101663D-01
      3   0.472250D+01 -0.264232D+01 -0.102075D+01  0.358302D+01 -0.192586D+01
                41            42            43            44            45 
      1   0.101663D-01 -0.192586D+01 -0.578337D+01 -0.117358D+01  0.247643D+01
      2   0.415386D+01  0.408008D+01 -0.117358D+01  0.363878D+01  0.292947D+00
      3   0.408008D+01 -0.173022D+01  0.247643D+01  0.292947D+00  0.446310D+00
                46            47            48            49            50 
      1  -0.355541D+01  0.151341D+01  0.504008D+01  0.377539D+01 -0.150935D+01
      2   0.151341D+01 -0.133663D+01  0.676951D+00 -0.150935D+01 -0.773921D+01
      3   0.504008D+01  0.676951D+00 -0.176642D+01  0.107656D+01  0.162504D+01
                51            52            53            54            55 
      1   0.107656D+01  0.778388D+01  0.118693D+01 -0.154751D+01  0.243504D+01
      2   0.162504D+01  0.118693D+01  0.251641D+01  0.157608D+01 -0.389442D+01
      3   0.123194D+01 -0.154751D+01  0.157608D+01 -0.278844D+01 -0.151836D+01
                56            57            58            59            60 
      1  -0.389442D+01 -0.151836D+01 -0.350853D+01  0.468578D+01 -0.169235D+01
      2   0.420477D+01 -0.151411D+01  0.468578D+01  0.322853D+01 -0.266801D+01
      3  -0.151411D+01 -0.169061D+01 -0.169235D+01 -0.266801D+01  0.305557D+01
                61            62            63            64            65 
      1  -0.170403D+01 -0.185715D+01 -0.182638D+01  0.172604D+00 -0.102071D+01
      2  -0.185715D+01 -0.334814D+01  0.159413D+01 -0.102071D+01 -0.245651D+01
      3  -0.182638D+01  0.159413D+01  0.342408D+01  0.353548D+01  0.398733D+01
                66            67            68            69            70 
      1   0.353548D+01  0.492394D+00 -0.196834D+01  0.463878D+01  0.296933D+01
      2   0.398733D+01 -0.196834D+01  0.123690D+01 -0.112884D+01  0.300141D+01
      3   0.803816D+00  0.463878D+01 -0.112884D+01 -0.885711D+00  0.109769D+01
                71            72            73            74            75 
      1   0.300141D+01  0.109769D+01  0.775897D+01  0.258588D+01  0.333015D+01
      2  -0.830230D+00 -0.145106D+01  0.258588D+01  0.127302D+01  0.133585D+01
      3  -0.145106D+01 -0.865694D+00  0.333015D+01  0.133585D+01  0.232274D+01
                76            77            78            79            80 
      1   0.185007D+01  0.130653D+01  0.944430D+00  0.343049D+01  0.170331D+01
      2   0.130653D+01  0.203144D+01  0.149572D+01  0.170331D+01  0.205267D+01
      3   0.944430D+00  0.149572D+01  0.131448D+01  0.220516D+01  0.829096D+00
                81            82            83            84            85 
      1   0.220516D+01  0.852614D+00  0.136788D+01 -0.350393D+00  0.137524D+01
      2   0.829096D+00  0.136788D+01  0.204747D+01 -0.263797D+00  0.107034D+01
      3   0.128247D+01 -0.350393D+00 -0.263797D+00 -0.132205D+00 -0.296817D+00
                86            87            88            89            90 
      1   0.107034D+01 -0.296817D+00 -0.801398D+00 -0.715484D+00 -0.136752D+00
      2   0.131802D+02 -0.857319D+00 -0.715484D+00 -0.371793D+01  0.207125D+01
      3  -0.857319D+00  0.101661D+01 -0.136752D+00  0.207125D+01 -0.815424D-01
                91            92            93            94            95 
      1  -0.117468D+01  0.690809D+00  0.135330D+01  0.154726D+00 -0.643749D+00
      2   0.690809D+00 -0.791553D+00 -0.117418D+01 -0.643749D+00  0.354761D+01
      3   0.135330D+01 -0.117418D+01 -0.179211D+01 -0.497177D+00  0.198603D+01
                96            97            98            99           100 
      1  -0.497177D+00  0.157665D+01 -0.142608D+01 -0.168328D+01  0.867242D+01
      2   0.198603D+01 -0.142608D+01  0.356754D+01  0.432173D+01 -0.939772D-01
      3   0.165229D+01 -0.168328D+01  0.432173D+01  0.808079D+01  0.208575D+01
               101           102           103           104           105 
      1  -0.939772D-01  0.208575D+01  0.296858D+01  0.523702D+00  0.659902D+00
      2   0.879606D+00  0.117374D+00  0.523702D+00  0.343071D+00  0.449880D+00
      3   0.117374D+00  0.160428D+01  0.659902D+00  0.449880D+00  0.475764D+00
               106           107           108           109           110 
      1   0.379147D+01 -0.167905D+00  0.212347D+01  0.221970D+01 -0.875232D+00
      2  -0.167905D+00  0.821581D+00 -0.196263D+00 -0.875232D+00  0.397708D+00
      3   0.212347D+01 -0.196263D+00  0.112766D+01 -0.155101D+01  0.933744D+00
               111           112           113           114           115 
      1  -0.155101D+01 -0.721272D+00  0.162727D+01  0.995773D+00 -0.356009D+01
      2   0.933744D+00  0.162727D+01 -0.309915D+01 -0.148586D+01  0.286489D+01
      3   0.167231D+01  0.995773D+00 -0.148586D+01 -0.158317D+01  0.343646D+01
               116           117           118           119           120 
      1   0.286489D+01  0.343646D+01 -0.398675D+00 -0.396690D+00  0.495375D+00
      2  -0.324537D+01 -0.352534D+01 -0.396690D+00 -0.196783D+01  0.432580D+00
      3  -0.352534D+01 -0.717738D+01  0.495375D+00  0.432580D+00 -0.112308D+00
               121           122           123           124           125 
      1  -0.192875D+01  0.182004D+01  0.334960D+00  0.100086D+01 -0.151301D+00
      2   0.182004D+01 -0.101827D+02  0.170728D+01 -0.151301D+00  0.319150D+01
      3   0.334960D+00  0.170728D+01 -0.149047D+01  0.677484D+00 -0.222363D+01
               126           127           128           129           130 
      1   0.677484D+00  0.421145D+00 -0.101935D+01 -0.859807D-01 -0.162914D+01
      2  -0.222363D+01 -0.101935D+01 -0.316687D+00  0.102622D+00  0.728994D+00
      3   0.566542D+00 -0.859807D-01  0.102622D+00 -0.182290D+00  0.387793D+00
               131           132           133           134           135 
      1   0.728994D+00  0.387793D+00 -0.605126D-01  0.500646D+00  0.836034D-01
      2  -0.765499D+01 -0.327785D+01  0.500646D+00 -0.285698D+01 -0.212008D+01
      3  -0.327785D+01 -0.219166D+01  0.836034D-01 -0.212008D+01 -0.221306D+01
               136           137           138           139           140 
      1  -0.701354D+00 -0.237162D+01 -0.435913D+01 -0.311089D+01  0.102242D+01
      2  -0.237162D+01  0.591760D+00  0.176929D+00  0.102242D+01  0.662969D+01
      3  -0.435913D+01  0.176929D+00  0.122339D+01  0.293578D+00 -0.261229D+01
               141           142           143           144           145 
      1   0.293578D+00 -0.442708D+01  0.921531D-01  0.135878D+01  0.107948D+01
      2  -0.261229D+01  0.921531D-01 -0.147409D+01 -0.189013D+01 -0.313910D+01
      3  -0.197605D+01  0.135878D+01 -0.189013D+01  0.241111D+01 -0.393719D+01
               146           147           148           149           150 
      1  -0.313910D+01 -0.393719D+01 -0.457776D+01  0.136583D+01 -0.234809D+00
      2  -0.543977D-01 -0.231774D+00  0.136583D+01  0.716088D+01 -0.100440D+01
      3  -0.231774D+00  0.133072D+01 -0.234809D+00 -0.100440D+01 -0.201277D+01
               151           152           153           154           155 
      1  -0.497521D+01 -0.105328D+00  0.212616D+01 -0.679630D+01  0.435805D+01
      2  -0.105328D+00 -0.136576D+01 -0.161747D+01  0.435805D+01 -0.408009D+01
      3   0.212616D+01 -0.161747D+01  0.448688D+01  0.763113D-01  0.268518D+00
               156           157           158           159           160 
      1   0.763113D-01  0.323189D+01 -0.341042D+01  0.362122D+00  0.294836D+00
      2   0.268518D+00 -0.341042D+01  0.425779D+01  0.871775D-01  0.278067D+00
      3  -0.719421D+00  0.362122D+00  0.871775D-01  0.447095D+00 -0.875761D+00
               161           162           163           164           165 
      1   0.278067D+00 -0.875761D+00 -0.394861D+01 -0.314348D+00 -0.319503D+01
      2   0.256810D+00  0.874943D+00 -0.314348D+00 -0.536918D+00 -0.226849D+00
      3   0.874943D+00 -0.236193D+00 -0.319503D+01 -0.226849D+00 -0.412603D+01
               166           167           168           169           170 
      1  -0.810223D+00 -0.588922D+00 -0.700334D+00 -0.258923D+01 -0.287334D+00
      2  -0.588922D+00 -0.388980D+00 -0.706630D+00 -0.287334D+00 -0.572555D+00
      3  -0.700334D+00 -0.706630D+00 -0.646541D+00 -0.324483D+01 -0.118133D-01
               171           172           173           174           175 
      1  -0.324483D+01  0.309203D+01  0.155893D+01 -0.264560D+01  0.124546D+01
      2  -0.118133D-01  0.155893D+01  0.188557D+01 -0.207318D+01  0.141146D+01
      3  -0.618022D+01 -0.264560D+01 -0.207318D+01  0.337305D+01 -0.161055D+01
               176           177           178           179           180 
      1   0.141146D+01 -0.161055D+01 -0.143864D+01 -0.958217D+00  0.152179D+01
      2   0.233023D+01 -0.193364D+01 -0.958217D+00 -0.116295D+01  0.176700D+01
      3  -0.193364D+01  0.259932D+01  0.152179D+01  0.176700D+01 -0.403504D+01
               181           182           183           184           185 
      1   0.515259D+01  0.789205D+00  0.118126D+01  0.146580D+01  0.295944D+00
      2   0.789205D+00  0.675187D+00 -0.571459D-01  0.295944D+00 -0.550449D+00
      3   0.118126D+01 -0.571459D-01  0.318038D+01  0.422035D-01  0.751446D+00
               186           187           188           189           190 
      1   0.422035D-01  0.115250D+01  0.299024D+00  0.186745D+01 -0.397910D+00
      2   0.751446D+00  0.299024D+00  0.909606D+00  0.342472D+00 -0.752087D+00
      3   0.122365D+01  0.186745D+01  0.342472D+00  0.191587D+01  0.889371D+00
               191           192           193           194           195 
      1  -0.752087D+00  0.889371D+00 -0.113995D+01 -0.105369D+01  0.413733D+00
      2  -0.382162D+00  0.112130D+00 -0.105369D+01 -0.827111D+01  0.325899D+01
      3   0.112130D+00 -0.467404D+00  0.413733D+00  0.325899D+01 -0.268482D+01
               196           197           198           199           200 
      1   0.414040D+00  0.644686D-01 -0.322186D+00 -0.468011D+01  0.834453D+00
      2   0.644686D-01  0.105429D+01 -0.115575D+01  0.834453D+00 -0.109077D+01
      3  -0.322186D+00 -0.115575D+01  0.986035D+00  0.361635D+01 -0.361730D+00
               201           202           203           204           205 
      1   0.361635D+01  0.192555D+01 -0.101293D+01 -0.125519D+01  0.245155D+01
      2  -0.361730D+00 -0.101293D+01  0.252327D+00  0.114068D+01 -0.436361D+00
      3  -0.403195D+01 -0.125519D+01  0.114068D+01  0.205022D+01 -0.262218D+01
               206           207           208           209           210 
      1  -0.436361D+00 -0.262218D+01 -0.773505D+00  0.636432D+00 -0.123683D+01
      2   0.779623D+00  0.675553D+00  0.636432D+00  0.334740D-01 -0.954375D-01
      3   0.675553D+00  0.384957D+01 -0.123683D+01 -0.954375D-01 -0.137777D+01
               211           212           213           214           215 
      1   0.134105D+01 -0.168683D+00  0.792446D-01 -0.269650D+01 -0.610239D+00
      2  -0.168683D+00 -0.210841D+00 -0.761878D+00 -0.610239D+00 -0.119842D+01
      3   0.792446D-01 -0.761878D+00  0.875025D+00 -0.236045D+01  0.319640D+00
               216           217           218           219           220 
      1  -0.236045D+01 -0.826929D+01  0.677391D+00  0.216902D+01  0.346602D+01
      2   0.319640D+00  0.677391D+00 -0.100816D+01 -0.267723D+00 -0.127869D+01
      3  -0.669704D+01  0.216902D+01 -0.267723D+00 -0.152087D+01 -0.603481D+00
               221           222           223           224           225 
      1  -0.127869D+01 -0.603481D+00  0.457454D+01 -0.757263D-01 -0.205133D+01
      2   0.103494D+00  0.542821D+00 -0.757263D-01  0.923664D+00  0.392565D+00
      3   0.542821D+00  0.894139D+00 -0.205133D+01  0.392565D+00  0.134726D+01
               226           227           228           229           230 
      1  -0.842575D+00 -0.723124D+00  0.377321D+00 -0.235638D+01 -0.300815D+01
      2  -0.723124D+00 -0.240378D+00  0.555458D-01 -0.300815D+01 -0.928492D+01
      3   0.377321D+00  0.555458D-01 -0.590678D-01 -0.111484D+00  0.248718D+00
               231           232           233           234 
      1  -0.111484D+00  0.905387D+00  0.329805D+00 -0.606867D+00
      2   0.248718D+00  0.329805D+00  0.863049D+00 -0.856098D+00
      3  -0.103163D+01 -0.606867D+00 -0.856098D+00 -0.947619D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.146464D+01  0.153012D+01  0.120819D+00  0.287685D+01  0.929618D+01
      2   0.291378D+01 -0.178871D+01 -0.280031D+01  0.822192D+00  0.946315D+01
      3  -0.208427D+01 -0.553027D+01  0.128958D+01  0.125814D+01 -0.443724D+02
                 6             7             8             9            10 
      1  -0.180901D+01  0.961428D+00  0.483988D+01  0.171118D+00 -0.856379D+00
      2   0.106423D+02 -0.101340D+02  0.146221D+02  0.165655D+02 -0.613106D+00
      3  -0.126642D+02  0.146865D+01 -0.101039D+02 -0.142890D+02  0.332324D+01
                11            12            13            14            15 
      1  -0.707705D+01 -0.392214D+01 -0.363152D+01 -0.158418D+02  0.216352D+00
      2   0.229747D+01  0.250032D+01 -0.374241D+00 -0.435779D+01 -0.167360D+01
      3  -0.410498D+01 -0.276218D+01  0.469015D+01  0.840995D+01  0.586656D+01
                16            17            18            19            20 
      1  -0.573283D+01  0.165881D+02  0.134544D+02 -0.138628D+01 -0.176743D+01
      2  -0.629415D+00 -0.267718D+01 -0.538718D+01 -0.641605D-01  0.558833D+01
      3  -0.880217D+00  0.949291D+01  0.108760D+02  0.981011D+01 -0.642774D+01
                21            22            23            24            25 
      1  -0.367773D+00 -0.234701D+01 -0.118831D+02 -0.207641D+01 -0.271536D+01
      2   0.129213D+01  0.448123D+01 -0.111695D+02 -0.119470D+02 -0.581876D+01
      3  -0.450415D+01  0.320991D+01  0.432828D+02  0.139873D+02 -0.260973D+01
                26            27            28            29            30 
      1   0.464946D+01  0.284548D+01 -0.145921D+01 -0.557887D+01 -0.455525D+01
      2  -0.108159D+02 -0.163792D+02 -0.524293D+01 -0.887761D+01 -0.577556D+01
      3   0.140344D+02  0.113995D+02  0.108849D+02 -0.186465D+01  0.101096D+02
                31            32            33            34            35 
      1  -0.300253D+01 -0.617558D+01  0.209421D+01 -0.977638D+01  0.132304D+02
      2  -0.811723D+01 -0.277261D+01  0.387425D+01 -0.157002D+02  0.133152D+02
      3   0.127041D+02 -0.288398D+02  0.542610D+01  0.103828D+02  0.103621D+02
                36            37            38            39            40 
      1   0.937854D+01 -0.885524D+00  0.278104D+00  0.491854D+01 -0.447053D+01
      2   0.145970D+02  0.820623D+01  0.295953D+01  0.333151D+01 -0.315653D+01
      3  -0.408315D+01 -0.135066D+02 -0.806916D+01 -0.790592D+00  0.806532D+01
                41            42            43            44            45 
      1   0.118775D+01 -0.112833D+02  0.773456D+01  0.161540D+00  0.486164D+01
      2   0.267941D+01 -0.486902D+01 -0.933445D+01 -0.418418D+01  0.426270D+01
      3   0.213827D+01  0.287547D+01  0.481392D+01 -0.195106D+00 -0.634573D+01
                46            47            48            49            50 
      1   0.453934D+01 -0.197425D+00 -0.220377D+01 -0.802677D+00 -0.143974D+01
      2  -0.132606D+02 -0.308253D+01  0.653737D+01  0.662256D+00 -0.177984D+01
      3   0.118357D+02 -0.498018D+01 -0.168461D+01 -0.271414D+01 -0.155093D+02
                51            52            53            54            55 
      1  -0.196450D+01 -0.242011D+01  0.686232D+01 -0.303557D+01  0.288784D+01
      2  -0.967236D+00 -0.484002D+00 -0.342200D+01  0.697716D+01  0.268315D+01
      3   0.243077D+01 -0.723993D+01  0.221695D+01  0.508522D+01 -0.411927D+01
                56            57            58            59            60 
      1   0.248638D+01  0.636551D+01  0.313050D+01  0.399478D+01 -0.673852D+01
      2   0.181306D+01  0.438177D+01  0.160673D+01  0.264615D+01 -0.362523D+01
      3  -0.561026D+01 -0.369611D+01  0.348271D+01  0.122421D+02 -0.541197D+01
                61            62            63            64            65 
      1   0.472138D+01  0.279974D+00 -0.888339D+01 -0.220914D+01  0.319721D+01
      2  -0.187795D+01 -0.260901D+01 -0.516873D+01 -0.163365D+01 -0.457757D+01
      3  -0.538443D+01 -0.657389D+01 -0.142542D+01  0.208085D+01 -0.437854D+01
                66            67            68            69            70 
      1  -0.128634D+02  0.632348D+01 -0.178431D+01  0.751557D+01 -0.106908D+02
      2   0.101495D+02 -0.133928D+01 -0.470335D+01  0.145839D+02  0.303625D+01
      3   0.660374D+01 -0.197842D+01 -0.207408D+01 -0.112732D+01  0.491550D+01
                71            72            73            74            75 
      1   0.803275D+01  0.287498D+01 -0.201537D+01  0.313863D+00 -0.293154D+01
      2   0.921680D+01  0.447510D+01 -0.483487D+00  0.115542D+01  0.580959D+01
      3   0.503238D+00  0.943225D+00  0.522225D+01 -0.206815D+01  0.140102D+01
                76            77            78            79            80 
      1  -0.350709D+00 -0.685607D+00 -0.116993D+01 -0.171995D+01  0.276777D+01
      2  -0.930364D-01  0.292519D+01  0.282661D+01  0.323676D+00 -0.156359D+01
      3   0.131831D+01 -0.230853D+01 -0.158068D+01  0.128880D+01 -0.412301D+01
                81            82            83            84            85 
      1  -0.115729D+01  0.163729D+01  0.254320D+01 -0.512436D-01  0.459727D+00
      2   0.102680D+01 -0.690565D+00 -0.385189D+00  0.142570D+01 -0.114311D+01
      3   0.148467D+01  0.211718D+01  0.118305D+01 -0.709049D+00  0.706750D+01
                86            87            88            89            90 
      1   0.124015D+02 -0.622885D+01  0.578309D+00 -0.725921D+01  0.245430D+01
      2   0.122149D+01  0.761285D+00 -0.564403D+00  0.839651D+00  0.313456D+00
      3  -0.511171D+01 -0.491252D+00 -0.280839D+01 -0.330470D+00 -0.181682D+01
                91            92            93            94            95 
      1  -0.296326D+01  0.174563D+01  0.402319D+01  0.428960D+00 -0.293390D+00
      2   0.210754D+01 -0.114139D+01 -0.855825D+00 -0.805972D+00  0.209307D+01
      3  -0.428569D+01  0.435907D+00  0.397833D+01  0.209028D+01 -0.388515D+01
                96            97            98            99           100 
      1  -0.274972D+01  0.315558D+01 -0.421755D+01 -0.170576D+02  0.368478D+01
      2   0.706594D+00 -0.547616D+01  0.285415D+01  0.415582D+01  0.736600D+01
      3  -0.258218D+01  0.755838D+01 -0.610408D+01 -0.696970D+01 -0.124284D+02
               101           102           103           104           105 
      1   0.934708D+00  0.258774D+01  0.791213D+00  0.118538D+01 -0.140909D+00
      2   0.348170D+00  0.787640D+01  0.189099D+01  0.141582D+01  0.214695D+01
      3  -0.553055D+01 -0.384951D+01 -0.332054D+01 -0.272014D+01 -0.228583D+01
               106           107           108           109           110 
      1   0.275800D+01  0.686062D+00  0.131207D+01 -0.238091D+01  0.153845D+01
      2   0.487214D+01  0.167461D-01  0.455687D+01 -0.305243D+01  0.239689D+01
      3  -0.513192D+01 -0.369414D+01 -0.218387D+01 -0.725216D+00 -0.201736D+01
               111           112           113           114           115 
      1   0.326787D+01  0.172409D+01 -0.759757D+00 -0.347871D+01  0.570918D+01
      2   0.524437D+01  0.249011D+01 -0.384647D+01 -0.468722D+01  0.608707D+01
      3  -0.117443D+01 -0.218448D+01  0.732927D+01  0.276933D+01 -0.181377D+01
               116           117           118           119           120 
      1  -0.383631D+01 -0.122563D+02  0.525112D+00  0.195979D+01 -0.437416D+00
      2  -0.883259D+01 -0.205947D+02  0.141428D+01  0.215930D+01  0.428545D+00
      3   0.570419D+01  0.511703D+01  0.231500D+01  0.556099D+01 -0.243288D+01
               121           122           123           124           125 
      1  -0.527881D+00  0.580778D+01 -0.562467D+01  0.132532D+01 -0.425057D+01
      2   0.132946D+01  0.483753D+01 -0.446511D+01  0.456166D+00 -0.553515D+01
      3   0.425360D+00  0.284291D+02 -0.590777D+01 -0.225380D+01 -0.100450D+02
               126           127           128           129           130 
      1   0.189678D+01  0.119025D+01 -0.316434D+00 -0.184310D+00 -0.515426D+00
      2   0.199061D+01  0.933807D+00 -0.918441D+00  0.107666D+01 -0.287245D+01
      3   0.540900D+01 -0.641975D+00 -0.298278D+00 -0.204319D+00  0.571774D+01
               131           132           133           134           135 
      1   0.568980D+01 -0.255552D+01 -0.215797D+00  0.324439D+01 -0.957142D+00
      2   0.693838D+00  0.879727D-01 -0.231934D+01  0.424948D-01 -0.598431D+00
      3   0.479360D+00 -0.390689D-01  0.962727D+00  0.491486D+00  0.197164D+00
               136           137           138           139           140 
      1  -0.112447D+02  0.816016D+00  0.210794D+01  0.331056D+01  0.136103D+02
      2   0.111244D+02  0.483400D+01  0.107765D+02  0.600246D+01  0.107937D+01
      3  -0.350907D+01  0.472096D+00  0.491141D+01  0.651528D+01  0.874477D+01
               141           142           143           144           145 
      1  -0.121410D+02  0.934885D+00 -0.399830D+01 -0.270138D+01 -0.269788D+01
      2   0.160447D+01  0.601065D+01  0.337128D+01 -0.453924D+01  0.116784D+02
      3  -0.406470D+01  0.423528D+01 -0.245781D+01 -0.380614D+01 -0.136886D+02
               146           147           148           149           150 
      1   0.284972D+00  0.241102D+01 -0.567126D+00 -0.350420D+01 -0.392831D+01
      2  -0.141154D+01 -0.497187D+01 -0.299601D+01  0.262273D+01  0.570863D+01
      3   0.285913D+01  0.411083D+01  0.123662D+02  0.219039D+02 -0.246352D+01
               151           152           153           154           155 
      1   0.411646D+01  0.511402D+00  0.774833D+01 -0.123887D+01  0.610055D+00
      2  -0.138940D+02  0.412974D+01 -0.161258D+02 -0.125305D+01  0.801766D+00
      3   0.534465D+01 -0.308166D+01 -0.781717D+01 -0.742413D+01 -0.166062D+01
               156           157           158           159           160 
      1   0.287092D+01  0.422029D+00 -0.152219D+01 -0.326367D+01  0.128748D+01
      2   0.371698D+01  0.348518D+00 -0.102309D+01 -0.219710D+01 -0.539941D-01
      3   0.239023D+00  0.411296D+01  0.853790D+00  0.627631D+00  0.509183D+00
               161           162           163           164           165 
      1  -0.289493D+00  0.400685D+00  0.350232D+01  0.390694D+01  0.424611D+01
      2  -0.789392D+00  0.155105D+00 -0.102346D+02 -0.140659D+01 -0.346607D+01
      3   0.115891D+01 -0.356019D+00 -0.313150D+01 -0.281186D+01 -0.240050D+01
               166           167           168           169           170 
      1   0.169533D+01  0.173492D+01  0.388571D+00  0.358972D+01  0.347823D+01
      2  -0.220064D+01 -0.722993D+00 -0.174540D+01 -0.722442D+01 -0.146762D+01
      3   0.642083D+00 -0.513052D-01 -0.546999D+00 -0.156796D+01 -0.191101D+01
               171           172           173           174           175 
      1   0.356442D+01 -0.154464D+01 -0.454250D+01  0.561447D+00 -0.239691D+01
      2  -0.288509D+01  0.930178D+01  0.358458D+01 -0.408503D+01  0.436400D+01
      3  -0.155533D+01  0.450231D+01  0.451643D+00 -0.250260D+01  0.401362D+01
               176           177           178           179           180 
      1  -0.361402D+01 -0.319066D+00  0.104133D+01  0.281904D+01 -0.579830D+00
      2   0.354822D+01 -0.397579D+01 -0.536617D+01 -0.312645D+01  0.375102D+01
      3   0.859866D+00 -0.206076D+01 -0.258149D+01 -0.203534D+00  0.216625D+01
               181           182           183           184           185 
      1   0.557721D+01  0.310023D+01  0.150210D+01  0.229135D+01  0.251915D+00
      2  -0.199420D+02 -0.351627D+01 -0.222032D+01 -0.565431D+01 -0.152744D+01
      3  -0.277277D+01 -0.158213D+01 -0.116570D+01  0.714057D+00 -0.396409D+00
               186           187           188           189           190 
      1   0.140594D+01  0.246865D+01  0.358193D+01  0.212951D+01 -0.284927D+00
      2  -0.435011D+00 -0.516545D+01 -0.162450D+01 -0.591991D+01 -0.631333D+00
      3   0.181869D+00 -0.905318D+00 -0.828122D+00 -0.405055D+00 -0.645352D+00
               191           192           193           194           195 
      1  -0.767980D+00 -0.601926D+00 -0.171818D+01 -0.157461D+02  0.665483D+00
      2   0.945731D+00 -0.327361D+00  0.296030D+01 -0.221391D+01  0.284815D+01
      3  -0.689918D+00 -0.514702D+00  0.310254D+01 -0.975214D+01  0.377813D+01
               196           197           198           199           200 
      1  -0.359920D-01  0.308948D+01 -0.148435D+01  0.544561D+01 -0.457730D+01
      2  -0.155483D+01  0.753747D+00 -0.561454D+00  0.613414D+01 -0.181759D+01
      3  -0.540927D+00  0.126030D+01 -0.103625D+01  0.434930D+01 -0.430776D+01
               201           202           203           204           205 
      1  -0.418503D+01 -0.292698D+01  0.236091D+01  0.300280D+01 -0.350955D+01
      2   0.308241D+00 -0.292756D+01  0.556938D-03 -0.128904D+01 -0.477255D+01
      3  -0.352159D+01 -0.159602D+01  0.185476D+01  0.245809D+01 -0.253757D+01
               206           207           208           209           210 
      1   0.389821D+01  0.484251D+01 -0.235473D+01 -0.114119D+00 -0.101954D+01
      2   0.165752D+00 -0.162060D+00  0.384735D+01  0.149492D+01  0.342061D+01
      3   0.232596D+01  0.324769D+01  0.257614D+01 -0.950436D+00  0.816179D+00
               211           212           213           214           215 
      1  -0.441791D+00 -0.113487D+01  0.123422D+01 -0.112954D+01  0.435509D+01
      2   0.215442D+01  0.267411D+01 -0.381781D+01  0.786809D+00 -0.300527D+01
      3  -0.345269D+00  0.225513D+00 -0.222951D+01  0.644141D+00 -0.420567D+01
               216           217           218           219           220 
      1  -0.859570D+01  0.229611D+01 -0.657674D+00 -0.149180D+01 -0.463028D+00
      2   0.206966D+02 -0.911986D+01  0.129657D+01  0.880294D+01  0.276482D+01
      3   0.409293D+01  0.116965D+02 -0.657203D+01 -0.343939D+01 -0.559238D+01
               221           222           223           224           225 
      1   0.847669D+00 -0.257209D+00 -0.208318D+01  0.114743D+01  0.751007D+00
      2  -0.213466D+01 -0.383793D+01  0.618000D+01 -0.125699D+01 -0.557064D+01
      3   0.247150D+01  0.229227D+01 -0.500926D+01  0.432341D+01  0.364748D+01
               226           227           228           229           230 
      1   0.771272D+00  0.351085D+00 -0.168096D+00  0.474692D+00  0.365428D+01
      2  -0.125566D+01 -0.390753D+00  0.137841D+01 -0.197109D+00 -0.164902D+01
      3  -0.158592D+01 -0.163865D+01 -0.469929D+00 -0.218922D+01 -0.243660D+02
               231           232           233           234 
      1  -0.474906D+01 -0.517507D+00 -0.241249D+00  0.385348D+00
      2   0.374144D+01  0.104151D+01  0.174424D+01  0.137137D+00
      3   0.993825D+00 -0.859347D+00  0.198347D+01 -0.157653D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.145162D+02  0.322064D+01 -0.229691D+01  0.627758D+01 -0.267533D+02
      2   0.967932D+01 -0.113023D+00  0.252827D+01  0.100004D+01  0.329877D+02
      3   0.483691D+01 -0.310762D+01 -0.231355D+00 -0.727762D+01 -0.623446D+01
      4  -0.575014D+01  0.203502D+01 -0.119450D+02 -0.150713D+01  0.540408D+02
      5  -0.172625D+02 -0.789584D+01 -0.502980D+01 -0.124863D+02  0.492259D+01
      6  -0.579378D+01 -0.793381D+01 -0.534869D+01 -0.535311D+01  0.702566D+01
                 6             7             8             9            10 
      1  -0.130822D+02 -0.370230D+01 -0.146772D+02 -0.194070D+02  0.979030D+00
      2   0.974922D+01  0.221915D+01  0.181209D+01  0.235714D+01  0.317753D+01
      3   0.333296D+01  0.148314D+01  0.128651D+02  0.170499D+02 -0.415656D+01
      4   0.466504D+01 -0.198091D+02  0.292247D+01  0.119765D+02 -0.195874D+01
      5   0.660405D+01 -0.413973D+01  0.771103D+01  0.104870D+02  0.210189D+01
      6   0.794603D+01 -0.360917D+01  0.119585D+02  0.619549D+01  0.213174D+01
                11            12            13            14            15 
      1  -0.402294D+01 -0.100398D+02  0.232731D+01  0.394860D+02  0.234483D+01
      2  -0.452112D+01  0.101599D+02 -0.639985D+01 -0.582892D+02  0.664340D+01
      3   0.854406D+01 -0.120081D+00  0.407254D+01  0.188032D+02 -0.898824D+01
      4   0.331661D+01  0.424060D+01  0.892877D+01 -0.180852D+02  0.465034D+01
      5   0.154623D+01 -0.186390D+01  0.343595D+01  0.311366D+00  0.267537D+01
      6   0.155743D+02  0.128333D+02  0.692690D+01  0.557538D+01 -0.598063D+01
                16            17            18            19            20 
      1  -0.105708D+02 -0.118267D+01  0.206259D+02  0.142875D+02 -0.474842D+00
      2   0.624958D+01  0.230306D+02 -0.708536D+01 -0.125120D+02 -0.182437D+01
      3   0.432124D+01 -0.218480D+02 -0.135405D+02 -0.177550D+01  0.229921D+01
      4   0.463694D+01  0.852001D+01  0.435193D+01 -0.366344D+01  0.480706D+01
      5   0.366656D+00  0.566439D+01  0.672985D+01  0.123915D+01  0.809615D+01
      6   0.126190D+02 -0.198558D+02 -0.261403D+02 -0.270175D+01 -0.593501D+01
                21            22            23            24            25 
      1   0.483382D+01  0.165655D+01  0.108348D+02  0.116884D+02 -0.246895D+01
      2  -0.341923D+01 -0.201265D+01 -0.760779D+01 -0.172102D+01 -0.607743D+00
      3  -0.141459D+01  0.356100D+00 -0.322702D+01 -0.996739D+01  0.307670D+01
      4   0.521164D+01 -0.119099D+01 -0.554363D+02 -0.156308D+02 -0.283268D+01
      5   0.521417D+01  0.462191D+01 -0.105995D+02 -0.116719D+02  0.140491D+02
      6  -0.239986D+00 -0.870260D+00 -0.807341D+01 -0.170923D+01 -0.802377D+00
                26            27            28            29            30 
      1   0.971682D+01  0.114036D+02 -0.317552D+02 -0.292981D+01 -0.159373D+02
      2  -0.101737D+02 -0.128406D+02  0.252427D+02 -0.585976D+01  0.102726D+02
      3   0.456848D+00  0.143706D+01  0.651244D+01  0.878957D+01  0.566465D+01
      4  -0.176349D+02 -0.134067D+02 -0.442034D+01  0.340387D+01 -0.103564D+02
      5  -0.109138D+02 -0.146156D+02 -0.116868D+02 -0.142321D+02 -0.158532D+02
      6   0.405331D+01 -0.556365D+01  0.198293D+01  0.853686D+01  0.696523D+01
                31            32            33            34            35 
      1  -0.165186D+02  0.131594D+02 -0.167259D+02 -0.190561D+02 -0.209871D+02
      2   0.703735D+01 -0.251740D+02  0.163199D+02  0.760617D+01  0.255590D+02
      3   0.948128D+01  0.120146D+02  0.405971D+00  0.114499D+02 -0.457187D+01
      4  -0.205366D+01  0.367037D+02  0.170220D+01 -0.123899D+02  0.362316D+00
      5  -0.135607D+02 -0.462607D+01  0.986540D+01 -0.263053D+02  0.244091D+02
      6   0.247005D+01  0.123816D+02 -0.786671D+01  0.127995D+02 -0.172383D+02
                36            37            38            39            40 
      1  -0.135152D+02 -0.126089D+02 -0.381571D+01  0.140070D+01 -0.126571D+02
      2   0.101964D+02  0.884668D+01  0.316223D+01 -0.247057D+01  0.681178D+00
      3   0.331879D+01  0.376219D+01  0.653484D+00  0.106988D+01  0.119759D+02
      4   0.214622D+02  0.592748D+01  0.214122D+01  0.469556D+01  0.147031D+01
      5   0.305848D+02  0.388815D+01 -0.309551D+00  0.724741D-01 -0.531750D+00
      6  -0.171406D+02  0.680024D+01 -0.429198D-01  0.333499D+01 -0.439254D+00
                41            42            43            44            45 
      1   0.202305D+02  0.332942D+01  0.906900D+01  0.112946D+02  0.969123D+00
      2  -0.115650D+02 -0.967492D+01 -0.247414D+01 -0.136890D+02  0.430178D+01
      3  -0.866548D+01  0.634550D+01 -0.659486D+01  0.239446D+01 -0.527091D+01
      4  -0.735470D+01 -0.147848D+01  0.919144D+01 -0.128593D+00  0.140014D+01
      5   0.115334D+01  0.504437D+01 -0.504967D+01  0.108842D+01 -0.119214D+01
      6  -0.120532D+02 -0.179685D+02 -0.541222D+00 -0.105754D+02  0.383778D+01
                46            47            48            49            50 
      1  -0.641866D+00 -0.861677D+01 -0.142902D+02 -0.108363D+02 -0.424376D+01
      2  -0.643227D+01  0.211840D+01  0.104992D+02  0.851745D+01  0.356359D+01
      3   0.707413D+01  0.649836D+01  0.379099D+01  0.231881D+01  0.680167D+00
      4  -0.151766D+02  0.228032D+01 -0.921935D+01  0.470413D+01  0.181657D+02
      5  -0.169792D+02 -0.470424D+01  0.729446D+01  0.636291D+00 -0.612307D+01
      6  -0.964454D+01 -0.101432D+00  0.134934D+01 -0.829473D+00 -0.373489D+01
                51            52            53            54            55 
      1  -0.604653D+01 -0.200312D+02 -0.827973D+01  0.103618D+02 -0.918919D+01
      2  -0.211702D+01  0.107101D+02  0.355701D+01 -0.449449D+01 -0.524271D+01
      3   0.816355D+01  0.932103D+01  0.472272D+01 -0.586735D+01  0.144319D+02
      4  -0.799619D+01 -0.800542D+01 -0.876638D+01  0.207351D+01  0.212607D+02
      5  -0.443485D+01  0.968421D+01 -0.104640D+01  0.475131D+01  0.313891D+00
      6   0.712755D+01  0.513952D+01 -0.814759D+00  0.329895D+01  0.117193D+01
                56            57            58            59            60 
      1   0.814232D+01  0.335455D+01  0.378145D+01 -0.129644D+02  0.327954D+01
      2   0.463506D+01 -0.106452D+02  0.394671D+01  0.946009D+01 -0.863088D+00
      3  -0.127774D+02  0.729070D+01 -0.772816D+01  0.350429D+01 -0.241645D+01
      4  -0.239066D+02  0.160896D+01 -0.214931D+02  0.606533D+01  0.319259D+01
      5   0.193762D+01  0.609554D+00 -0.169130D+01  0.235166D+01  0.389720D+00
      6  -0.969333D+01 -0.619407D+01 -0.589933D+01  0.282664D+01 -0.100669D+00
                61            62            63            64            65 
      1   0.111602D+01  0.632671D+01  0.219160D+01  0.794112D+01  0.862851D+01
      2  -0.601071D+01 -0.798189D+01  0.842602D+01  0.661621D+01  0.172410D+01
      3   0.489470D+01  0.165518D+01 -0.106176D+02 -0.145573D+02 -0.103526D+02
      4   0.434982D+01  0.446527D+01 -0.795402D+01 -0.411515D+01 -0.162296D+00
      5   0.307463D+01 -0.222127D+01 -0.139337D+01 -0.334211D+01  0.355522D+01
      6  -0.551888D+01  0.569740D+01  0.684891D+01  0.703946D+01  0.148561D+02
                66            67            68            69            70 
      1  -0.353933D+01  0.130591D+02 -0.263268D+01 -0.187913D+01  0.943139D+00
      2   0.150853D+02  0.406996D+01 -0.267080D+01 -0.252553D+01  0.110274D+02
      3  -0.115459D+02 -0.171290D+02  0.530348D+01  0.440466D+01 -0.119705D+02
      4   0.260363D+01  0.291427D+01 -0.274395D+01  0.870769D+01 -0.291511D+01
      5  -0.184087D+02  0.140362D+01  0.593491D+01 -0.139953D+02 -0.133570D+02
      6  -0.109652D+02  0.134600D+02 -0.556710D+01  0.549653D+01 -0.499955D+01
                71            72            73            74            75 
      1  -0.685297D+01 -0.516753D+01  0.344054D+02  0.953554D+01  0.105257D+02
      2   0.452670D+01 -0.204042D+01 -0.191890D+02 -0.443651D+01 -0.921546D+01
      3   0.232627D+01  0.720794D+01 -0.152164D+02 -0.509903D+01 -0.131027D+01
      4   0.539989D+01 -0.339811D-01  0.268053D+02  0.147428D+02  0.118931D+02
      5  -0.618958D+01 -0.480122D+01  0.236507D+02  0.926973D+01  0.169424D+02
      6   0.565698D-01  0.937682D+00  0.804777D+01  0.524407D+01  0.583430D+01
                76            77            78            79            80 
      1   0.433565D+01  0.307893D+00 -0.454899D+00  0.120238D+02  0.357065D+01
      2  -0.715756D+00  0.251849D+01  0.287231D+00 -0.815882D+01  0.748674D+00
      3  -0.361990D+01 -0.282638D+01  0.167668D+00 -0.386495D+01 -0.431933D+01
      4   0.128580D+02  0.118232D+02  0.869603D+01  0.140978D+02  0.131270D+02
      5   0.634668D+01  0.781894D+01  0.662790D+01  0.148741D+02  0.525123D+01
      6   0.491541D+01  0.657009D+01  0.564492D+01  0.599224D+01  0.489277D+01
                81            82            83            84            85 
      1   0.546158D+01 -0.121516D+01 -0.481872D+01  0.386774D+00 -0.217832D+01
      2  -0.526943D+01  0.668293D+01  0.121432D+02 -0.595090D+00  0.743480D+01
      3  -0.192156D+00 -0.546777D+01 -0.732448D+01  0.208315D+00 -0.525648D+01
      4   0.792180D+01  0.564691D+01  0.137565D+02 -0.141511D+01  0.789023D+01
      5   0.102928D+02 -0.285743D+00  0.506743D+00  0.232576D+01 -0.129466D-01
      6   0.502957D+01 -0.147382D+01 -0.110991D+01 -0.149986D+00 -0.439244D+00
                86            87            88            89            90 
      1  -0.453986D+02  0.230280D+01  0.146502D+01  0.122378D+02 -0.756456D+01
      2   0.816760D+02 -0.620375D+01 -0.222851D+01 -0.243237D+02  0.814730D+01
      3  -0.362774D+02  0.390095D+01  0.763489D+00  0.120859D+02 -0.582741D+00
      4   0.197105D+02 -0.199213D+01 -0.314554D+01 -0.584771D+01  0.203280D+01
      5   0.180731D+00  0.554339D+00  0.154374D+01  0.756974D+00 -0.153003D+01
      6  -0.522155D+01  0.838172D+01 -0.606631D+00  0.140618D+02 -0.224450D+01
                91            92            93            94            95 
      1  -0.199600D+01  0.347725D+01  0.529044D+01  0.139069D+01 -0.142261D+02
      2  -0.149309D+01 -0.184377D+01 -0.220746D+01 -0.140998D+01  0.152627D+02
      3   0.348909D+01 -0.163348D+01 -0.308298D+01  0.192921D-01 -0.103660D+01
      4  -0.329062D+01  0.501203D+01  0.478451D+01  0.123318D+01  0.789543D+00
      5  -0.303414D+01  0.331478D+01  0.677330D+01  0.831159D+00 -0.784138D+00
      6   0.588964D+01 -0.667171D+01 -0.833062D+01 -0.318645D+01  0.111880D+02
                96            97            98            99           100 
      1  -0.821785D+01  0.703847D+01 -0.175588D+02 -0.271129D+02  0.676243D+02
      2   0.595348D+01 -0.147811D+01  0.755538D+01  0.186747D+01 -0.375298D+02
      3   0.226437D+01 -0.556037D+01  0.100034D+02  0.252454D+02 -0.300944D+02
      4  -0.126605D+01  0.361798D+01 -0.186173D+01 -0.210932D+01 -0.102181D+02
      5  -0.117151D+01  0.551653D+01 -0.295490D+01 -0.427100D+01  0.165025D+02
      6   0.129702D+02 -0.771246D+01  0.263874D+02  0.382934D+02 -0.531141D+01
               101           102           103           104           105 
      1   0.212944D+01  0.154246D+02  0.204458D+02  0.365816D+01  0.479849D+01
      2  -0.307271D+01 -0.952865D+01 -0.120599D+02 -0.992529D+00 -0.423651D+01
      3   0.943261D+00 -0.589597D+01 -0.838587D+01 -0.266563D+01 -0.561978D+00
      4   0.856895D+01 -0.203754D+01  0.453722D+01  0.337950D+01  0.254993D+01
      5   0.275772D+00  0.143547D+02  0.493020D+01  0.309414D+01  0.392154D+01
      6  -0.178609D+00 -0.484774D+01 -0.606614D+00 -0.857725D+00  0.729888D+00
               106           107           108           109           110 
      1   0.261030D+02  0.840880D+00  0.114326D+02  0.142193D+02 -0.494499D+01
      2  -0.161318D+02 -0.315989D+01 -0.961459D+01 -0.994469D+01  0.314947D+01
      3  -0.997114D+01  0.231901D+01 -0.181800D+01 -0.427461D+01  0.179552D+01
      4  -0.507536D+01  0.522008D+01 -0.276088D+01 -0.888723D+01  0.613122D+01
      5   0.173893D+02 -0.940224D+00  0.981093D+01 -0.118500D+02  0.742342D+01
      6  -0.431576D+01  0.247813D+01 -0.180583D+01  0.497676D+01 -0.364292D+01
               111           112           113           114           115 
      1  -0.745736D+01 -0.180901D+01 -0.725387D+00  0.157836D+01 -0.153628D+02
      2   0.525187D+01 -0.381404D+00  0.500295D+01 -0.541960D-01  0.117441D+02
      3   0.220548D+01  0.219041D+01 -0.427756D+01 -0.152416D+01  0.361875D+01
      4   0.813081D+01  0.106080D+02 -0.163881D+02 -0.936982D+01  0.198118D+02
      5   0.148800D+02  0.641580D+01 -0.841368D+01 -0.975879D+01  0.262924D+02
      6  -0.558208D+01 -0.412238D+01  0.505741D+01  0.985421D+01 -0.117383D+02
               116           117           118           119           120 
      1   0.642560D+01  0.412550D+01 -0.825768D+00 -0.884609D+01  0.397508D+01
      2  -0.484608D+01 -0.134854D+02  0.142362D+01  0.108447D+02 -0.246370D+01
      3  -0.157952D+01  0.935991D+01 -0.597855D+00 -0.199860D+01 -0.151138D+01
      4  -0.198255D+02 -0.203506D+02 -0.133313D-01 -0.233949D+01  0.189293D+00
      5  -0.222020D+02 -0.445757D+02  0.185528D+01  0.179493D+01  0.140474D+01
      6   0.165341D+02  0.243624D+02 -0.166668D+01 -0.315415D+01  0.116352D+01
               121           122           123           124           125 
      1  -0.774651D+01 -0.208928D+02  0.747590D+01  0.543939D+01  0.101015D+02
      2   0.632825D+00  0.434301D+02 -0.964809D+01 -0.110581D+01 -0.158398D+02
      3   0.711369D+01 -0.225373D+02  0.217218D+01 -0.433358D+01  0.573835D+01
      4   0.143895D+02 -0.436304D+02  0.703329D+01 -0.358932D+01  0.135826D+02
      5   0.405942D+00  0.101499D+02 -0.868418D+01  0.618068D+01 -0.122020D+02
      6   0.211875D+01 -0.155585D+02  0.991796D+01 -0.323708D+01  0.143260D+02
               126           127           128           129           130 
      1  -0.348659D+01  0.503279D+00 -0.950567D+00 -0.327087D+00  0.519723D+00
      2   0.393734D+01  0.192785D+01  0.624059D+00  0.433090D+00 -0.145263D+01
      3  -0.450750D+00 -0.243113D+01  0.326508D+00 -0.106003D+00  0.932910D+00
      4  -0.953311D+01 -0.656435D+00  0.780479D+01  0.210847D+01  0.698586D+01
      5   0.184173D+01 -0.984586D+00  0.335145D+01  0.376456D+01  0.333515D+01
      6  -0.518486D+01  0.372573D+01 -0.147738D+00  0.900352D+00 -0.303040D+01
               131           132           133           134           135 
      1  -0.218580D+02 -0.103426D+02  0.337271D+00 -0.886845D+01 -0.992971D+01
      2   0.263881D+02  0.788847D+01  0.406697D+00  0.663747D+01  0.186976D+01
      3  -0.453004D+01  0.245408D+01 -0.743968D+00  0.223099D+01  0.805995D+01
      4  -0.148040D+01 -0.130890D+01  0.188970D+01 -0.124131D+01  0.265458D+00
      5  -0.201514D+01 -0.103066D+01  0.299343D+01 -0.823944D+00 -0.197062D+01
      6   0.248007D+02  0.164338D+02 -0.966830D+00  0.151179D+02  0.109902D+02
               136           137           138           139           140 
      1   0.563026D+01  0.624780D+01  0.111982D+02  0.924596D+01  0.127053D+02
      2   0.151806D+02 -0.493534D+01 -0.103029D+02 -0.967241D+01 -0.176280D+02
      3  -0.208108D+02 -0.131246D+01 -0.895323D+00  0.426449D+00  0.492267D+01
      4   0.939928D+01  0.287637D+01  0.211794D+01  0.346065D+00 -0.147867D+02
      5   0.128807D+02 -0.757129D+01 -0.204158D+02 -0.110841D+02  0.592536D+01
      6  -0.544990D+01  0.289881D+01  0.376911D+01  0.525458D+01  0.266532D+02
               141           142           143           144           145 
      1  -0.170094D+01  0.986791D+01  0.175103D+01 -0.153500D+02 -0.138538D+02
      2   0.158949D+02 -0.865865D+01  0.918337D+01  0.123099D+01  0.124544D+02
      3  -0.141940D+02 -0.120926D+01 -0.109344D+02  0.141191D+02  0.139935D+01
      4   0.671152D+01  0.330597D+01  0.439997D+01  0.188427D+01  0.219385D+02
      5   0.848946D+01 -0.195099D+02  0.479242D+01  0.260036D+01  0.248105D+02
      6  -0.878721D+01  0.143366D+01 -0.310525D+01 -0.121777D+02  0.741939D+01
               146           147           148           149           150 
      1   0.183127D+02  0.234864D+02  0.288700D+02  0.122276D+02 -0.283646D+01
      2  -0.106404D+02 -0.107600D+02 -0.209007D+02 -0.268116D+02  0.344324D+01
      3  -0.767233D+01 -0.127263D+02 -0.796932D+01  0.145840D+02 -0.606783D+00
      4   0.314157D+01  0.393477D+01 -0.348212D+01 -0.324912D+02  0.648549D+01
      5   0.166363D+01 -0.883732D+01 -0.978608D+00  0.598990D+01  0.955402D+01
      6   0.816313D+00 -0.183687D+01  0.638383D+00 -0.812584D+00  0.285333D+01
               151           152           153           154           155 
      1   0.288234D+02 -0.240908D+01 -0.123493D+02  0.218570D+02 -0.844769D+01
      2  -0.118769D+02  0.342411D+01  0.141162D+02 -0.277273D-01 -0.784058D+01
      3  -0.169465D+02 -0.101504D+01 -0.176693D+01 -0.218293D+02  0.162883D+02
      4   0.248493D+01  0.699871D+01  0.589273D+01 -0.333042D+02  0.285650D+02
      5  -0.142775D+02  0.732331D+01 -0.230162D+02  0.273664D+01 -0.247566D+01
      6  -0.353597D+01  0.389729D+01 -0.728523D+01 -0.319782D+01  0.336441D+01
               156           157           158           159           160 
      1  -0.632551D+00 -0.381354D+01 -0.422169D+00  0.540808D-01 -0.670897D+00
      2   0.954553D+00 -0.904952D+01  0.168015D+02  0.834773D+00  0.702423D+00
      3  -0.322002D+00  0.128631D+02 -0.163794D+02 -0.888854D+00 -0.315260D-01
      4  -0.919847D+00  0.230513D+02 -0.249398D+02  0.148052D+00 -0.244308D+00
      5   0.579182D+01 -0.180796D+01  0.132343D+01 -0.214191D+01  0.577978D+01
      6  -0.322348D+01  0.256975D+01 -0.303868D+01  0.496996D+01 -0.373576D+01
               161           162           163           164           165 
      1   0.303474D-01 -0.724444D-02  0.273232D+01  0.118078D+01 -0.493816D+01
      2   0.144488D+01  0.285403D+00 -0.132608D+02 -0.194943D+01 -0.148965D+02
      3  -0.147523D+01 -0.278158D+00  0.105285D+02  0.768642D+00  0.198346D+02
      4  -0.425152D+00 -0.469860D+01 -0.133453D+01  0.357737D+01 -0.221041D+01
      5  -0.388391D+01  0.200876D+00  0.184464D+02  0.596991D+00  0.195737D+02
      6   0.600810D+01 -0.220160D+01 -0.368575D+01  0.256487D+01 -0.423452D+01
               166           167           168           169           170 
      1  -0.144864D+01 -0.837087D+00 -0.140789D+01 -0.275935D+01  0.865303D+00
      2  -0.222378D+01 -0.209476D+01 -0.312450D+01 -0.118159D+02 -0.128424D+01
      3   0.367243D+01  0.293185D+01  0.453239D+01  0.145752D+02  0.418939D+00
      4   0.263809D+01  0.327053D+00  0.149867D+01 -0.133299D+01  0.206105D+01
      5   0.174811D+01  0.316479D+01  0.300803D+01  0.165943D+02  0.153211D+01
      6   0.186855D+01  0.106878D+01  0.507961D+01 -0.188597D+01  0.517168D+01
               171           172           173           174           175 
      1  -0.131846D+02 -0.256529D+01 -0.619432D+01  0.904980D+01 -0.464487D+01
      2  -0.203784D+02 -0.345127D+01  0.122047D+01  0.350699D+01  0.433185D+00
      3   0.335630D+02  0.601656D+01  0.497384D+01 -0.125568D+02  0.421169D+01
      4  -0.196498D+01  0.613251D+01  0.540082D+01 -0.558909D+01  0.485808D+01
      5   0.212879D+02 -0.129679D+02 -0.651784D+01  0.138765D+02 -0.612252D+01
      6  -0.603324D+01 -0.926911D+01 -0.116215D+02  0.131006D+02 -0.848933D+01
               176           177           178           179           180 
      1  -0.887986D+01  0.940601D+01  0.416126D+01  0.695479D+01 -0.121309D+02
      2   0.664596D+01  0.806956D-01  0.175874D+01  0.146901D+00 -0.644964D+01
      3   0.223390D+01 -0.948671D+01 -0.592000D+01 -0.710169D+01  0.185805D+02
      4   0.396723D+01 -0.383969D+01 -0.242021D+01 -0.294967D+01  0.304338D+01
      5  -0.570162D+01  0.669601D+01  0.954716D+01  0.455420D+01 -0.857082D+01
      6  -0.127463D+02  0.138194D+02  0.654143D+01  0.100496D+02 -0.144247D+02
               181           182           183           184           185 
      1  -0.282206D+01 -0.505684D+00 -0.123186D+02 -0.202086D+01 -0.304413D+01
      2  -0.516070D+01 -0.112893D+01 -0.508266D+01  0.289546D+00  0.106905D+01
      3   0.798276D+01  0.163462D+01  0.174013D+02  0.173132D+01  0.197508D+01
      4  -0.832487D+01 -0.591817D+00 -0.206821D+01 -0.555943D+00  0.538424D+00
      5   0.122599D+02  0.217492D+01  0.607567D+01  0.403861D+01  0.338193D+00
      6   0.188560D+01  0.380223D+01 -0.277230D+01  0.164818D+01 -0.139182D+01
               186           187           188           189           190 
      1  -0.323131D+01 -0.801519D+01 -0.143537D+01 -0.642151D+01 -0.721382D+00
      2  -0.331953D+01 -0.313443D+01 -0.112010D+01 -0.691833D+01  0.534779D+00
      3   0.655084D+01  0.111496D+02  0.255547D+01  0.133398D+02  0.186603D+00
      4  -0.824733D+00 -0.183829D+01  0.115896D+00 -0.310719D+01  0.231125D+01
      5  -0.840075D+00  0.867911D+01  0.863169D+00  0.521087D+01 -0.307405D+01
      6   0.301912D+01 -0.683811D-01  0.428239D+01  0.868684D+00 -0.277772D+01
               191           192           193           194           195 
      1   0.145573D+01 -0.121988D+01  0.411308D+00 -0.210091D+02  0.116551D+02
      2   0.329965D-01  0.155358D+01  0.178112D+01  0.299069D+02 -0.603088D+01
      3  -0.148873D+01 -0.333701D+00 -0.219243D+01 -0.889784D+01 -0.562424D+01
      4   0.642602D+01 -0.221850D+01  0.874704D+01  0.178673D+02 -0.661000D+01
      5  -0.284259D+01  0.519660D+01 -0.494669D+01 -0.620957D+01  0.554141D+01
      6  -0.189211D+01  0.560647D+00 -0.438715D+01 -0.350518D+02  0.196436D+02
               196           197           198           199           200 
      1  -0.526641D+00  0.482979D+01 -0.476820D+01  0.142791D+02 -0.280490D+01
      2   0.139247D+01 -0.940249D+00  0.888720D+00 -0.198705D+02  0.362583D+01
      3  -0.865832D+00 -0.388954D+01  0.387948D+01  0.559144D+01 -0.820935D+00
      4  -0.848589D+00 -0.212887D+01  0.251029D+01 -0.916364D+00  0.509069D+01
      5   0.375957D+01  0.197792D+01 -0.290618D+01 -0.281440D+02  0.456325D+01
      6   0.876095D+00  0.106220D+02 -0.659804D+01  0.329760D+01 -0.618643D+01
               201           202           203           204           205 
      1  -0.328329D+01 -0.489148D+01 -0.119384D+00 -0.114698D+00 -0.277693D+01
      2   0.168300D+02  0.699472D+01 -0.906076D+00 -0.850149D+01  0.121885D+02
      3  -0.135467D+02 -0.210324D+01  0.102546D+01  0.861618D+01 -0.941159D+01
      4   0.485186D-01  0.446425D+01 -0.249071D+01 -0.419267D+01 -0.650644D+00
      5   0.262791D+02  0.109424D+02 -0.640598D+01 -0.107835D+02  0.195207D+02
      6  -0.104931D+01 -0.529021D+01  0.201292D+01  0.634455D+01 -0.186064D+01
               206           207           208           209           210 
      1   0.145723D+00 -0.227413D+01  0.603945D+01 -0.295452D+01  0.543928D+01
      2  -0.392233D+01 -0.163511D+02 -0.683057D+01  0.146498D+01 -0.561382D+01
      3   0.377661D+01  0.186252D+02  0.791113D+00  0.148954D+01  0.174536D+00
      4  -0.281691D+01 -0.119391D+01 -0.152876D+01  0.964948D+00  0.111704D+01
      5  -0.408261D+01 -0.216574D+02  0.667936D+01 -0.745211D+00  0.128175D+02
      6   0.561343D+01  0.199959D+01  0.497713D+00  0.202824D+00  0.213568D+01
               211           212           213           214           215 
      1  -0.755022D+01 -0.171255D+01 -0.363223D+00  0.125797D+02  0.132985D+01
      2   0.459518D+01  0.166701D+01  0.175684D+01 -0.985957D+01  0.160299D+01
      3   0.295504D+01  0.455312D-01 -0.139362D+01 -0.272010D+01 -0.293284D+01
      4   0.177718D+01  0.915875D+00  0.383894D+01  0.477130D+01  0.724663D+01
      5  -0.209366D+01  0.298196D+01 -0.465116D+01  0.193641D+02 -0.732985D+00
      6   0.335515D+00 -0.392905D+00  0.266342D+01  0.481242D+01  0.418377D+01
               216           217           218           219           220 
      1   0.313080D+01  0.612522D+02 -0.691346D+01 -0.152435D+02 -0.224630D+02
      2  -0.165506D+02 -0.330608D+02  0.500151D+01  0.859846D+01  0.129314D+02
      3   0.134198D+02 -0.281914D+02  0.191196D+01  0.664500D+01  0.953161D+01
      4  -0.296191D-01 -0.467635D+00  0.869490D+01  0.600588D+00  0.940495D+01
      5   0.369255D+02 -0.153757D+02  0.166983D+01  0.130789D+02  0.493736D+01
      6   0.106692D+02 -0.332736D+01  0.342408D+00  0.305852D+01  0.324884D-01
               221           222           223           224           225 
      1   0.528418D+01  0.419367D+01 -0.288172D+02  0.183206D+01  0.113504D+02
      2  -0.297932D+00 -0.289040D+01  0.160699D+02 -0.229419D+01 -0.942095D+01
      3  -0.498625D+01 -0.130328D+01  0.127474D+02  0.462130D+00 -0.192944D+01
      4  -0.249204D+01 -0.379019D+01 -0.650483D+00 -0.648605D+01 -0.158854D+01
      5  -0.357267D+01 -0.615872D+01  0.162848D+02 -0.230383D+01 -0.105011D+02
      6   0.531314D+00  0.546881D+00  0.255355D+01  0.694443D+00 -0.104284D+01
               226           227           228           229           230 
      1   0.513149D+01  0.447929D+01 -0.222551D+01  0.647290D+01 -0.123362D+02
      2   0.153905D+00 -0.136562D+01  0.121948D+01  0.550207D+01  0.379807D+02
      3  -0.528539D+01 -0.311367D+01  0.100602D+01 -0.119750D+02 -0.256444D+02
      4   0.428131D+01  0.850450D+01 -0.582984D+00  0.216046D+02  0.477019D+02
      5  -0.191637D+01  0.276665D+00  0.198173D+01  0.128734D+01 -0.118970D+01
      6  -0.566863D+00  0.108494D+00 -0.230624D+00  0.116659D+01  0.353177D+01
               231           232           233           234 
      1   0.114823D+01 -0.451690D+01  0.849183D+00 -0.316054D+00
      2  -0.164391D+01  0.115796D+01 -0.280265D+01  0.134230D+01
      3   0.495680D+00  0.335894D+01  0.195346D+01 -0.102624D+01
      4  -0.111816D+01 -0.240969D+01 -0.430910D+01  0.391654D+01
      5   0.635088D+01  0.427311D+01  0.424986D+01  0.739358D+00
      6   0.686909D+01  0.204425D+01  0.574535D+01 -0.765829D+00
 Leave Link  716 at Thu Jul  8 22:40:17 2021, MaxMem= 10737418240 cpu:               2.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.123128D+03 -0.323275D+00  0.461942D+00
      2  -0.323275D+00  0.120242D+03  0.472302D+01
      3   0.461942D+00  0.472302D+01  0.107899D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.183353D+00  0.264593D+01  0.494075D+01
      2   0.399151D+01  0.157689D+02 -0.356894D+01
      3   0.775286D+01 -0.237967D+02 -0.148213D+02
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.118109D+02 -0.384797D+02  0.809646D+00
      2   0.490622D+01  0.199215D+02  0.764755D+01
      3  -0.167172D+02  0.185582D+02 -0.845720D+01
      4  -0.382523D+02  0.359071D+02  0.268857D+02
      5   0.133715D+02  0.242887D+02 -0.189814D+02
      6   0.985629D+01  0.181377D+02  0.735737D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.332538D+01  0.253735D+00 -0.153421D+01  0.206340D+01 -0.368767D+00
      2   0.253735D+00 -0.426822D+00 -0.253893D+01 -0.368767D+00  0.165456D+02
      3  -0.153421D+01 -0.253893D+01 -0.209667D+01 -0.193419D+01  0.327265D+01
                 6             7             8             9            10 
      1  -0.193419D+01 -0.844390D+00 -0.306063D+01 -0.188568D+01  0.816585D+00
      2   0.327265D+01 -0.306063D+01  0.236815D+01  0.391748D+01  0.814837D+00
      3   0.311191D+01 -0.188568D+01  0.391748D+01  0.583266D+01  0.492824D+00
                11            12            13            14            15 
      1   0.814837D+00  0.492824D+00  0.184550D+01  0.290044D+00  0.193454D+01
      2   0.832112D+00  0.324839D+01  0.290044D+00 -0.107631D+02  0.498922D+00
      3   0.324839D+01  0.278051D+01  0.193454D+01  0.498922D+00 -0.112516D+01
                16            17            18            19            20 
      1   0.104244D+01  0.306459D+01  0.290597D+01  0.198954D+01 -0.254968D+01
      2   0.306459D+01  0.233986D+01 -0.371853D+01 -0.254968D+01  0.127766D+01
      3   0.290597D+01 -0.371853D+01 -0.559879D+01 -0.358929D+00  0.110476D+01
                21            22            23            24            25 
      1  -0.358929D+00 -0.267492D+01  0.107285D+01  0.127494D+01 -0.101696D+01
      2   0.110476D+01  0.107285D+01 -0.164167D+02 -0.439675D+01  0.364630D+00
      3   0.718665D+00  0.127494D+01 -0.439675D+01 -0.421432D+01  0.146089D+01
                26            27            28            29            30 
      1   0.364630D+00  0.146089D+01 -0.424141D+01 -0.752738D+00 -0.122761D+01
      2  -0.463015D+01 -0.399616D+01 -0.752738D+00 -0.384962D+00 -0.272710D+01
      3  -0.399616D+01 -0.451155D+01 -0.122761D+01 -0.272710D+01 -0.251778D+01
                31            32            33            34            35 
      1  -0.247832D+01 -0.221968D+01 -0.257631D+01 -0.149056D+01 -0.272459D+01
      2  -0.221968D+01  0.956054D+01 -0.311980D+00 -0.272459D+01 -0.880968D+00
      3  -0.257631D+01 -0.311980D+00  0.162450D+01 -0.417813D+01  0.378744D+01
                36            37            38            39            40 
      1  -0.417813D+01  0.444248D+01  0.182208D+01 -0.264232D+01 -0.226494D+01
      2   0.378744D+01  0.182208D+01  0.975526D+00 -0.102075D+01  0.101663D-01
      3   0.472250D+01 -0.264232D+01 -0.102075D+01  0.358302D+01 -0.192586D+01
                41            42            43            44            45 
      1   0.101663D-01 -0.192586D+01 -0.578337D+01 -0.117358D+01  0.247643D+01
      2   0.415386D+01  0.408008D+01 -0.117358D+01  0.363878D+01  0.292947D+00
      3   0.408008D+01 -0.173022D+01  0.247643D+01  0.292947D+00  0.446310D+00
                46            47            48            49            50 
      1  -0.355541D+01  0.151341D+01  0.504008D+01  0.377539D+01 -0.150935D+01
      2   0.151341D+01 -0.133663D+01  0.676951D+00 -0.150935D+01 -0.773921D+01
      3   0.504008D+01  0.676951D+00 -0.176642D+01  0.107656D+01  0.162504D+01
                51            52            53            54            55 
      1   0.107656D+01  0.778388D+01  0.118693D+01 -0.154751D+01  0.243504D+01
      2   0.162504D+01  0.118693D+01  0.251641D+01  0.157608D+01 -0.389442D+01
      3   0.123194D+01 -0.154751D+01  0.157608D+01 -0.278844D+01 -0.151836D+01
                56            57            58            59            60 
      1  -0.389442D+01 -0.151836D+01 -0.350853D+01  0.468578D+01 -0.169235D+01
      2   0.420477D+01 -0.151411D+01  0.468578D+01  0.322853D+01 -0.266801D+01
      3  -0.151411D+01 -0.169061D+01 -0.169235D+01 -0.266801D+01  0.305557D+01
                61            62            63            64            65 
      1  -0.170403D+01 -0.185715D+01 -0.182638D+01  0.172604D+00 -0.102071D+01
      2  -0.185715D+01 -0.334814D+01  0.159413D+01 -0.102071D+01 -0.245651D+01
      3  -0.182638D+01  0.159413D+01  0.342408D+01  0.353548D+01  0.398733D+01
                66            67            68            69            70 
      1   0.353548D+01  0.492394D+00 -0.196834D+01  0.463878D+01  0.296933D+01
      2   0.398733D+01 -0.196834D+01  0.123690D+01 -0.112884D+01  0.300141D+01
      3   0.803816D+00  0.463878D+01 -0.112884D+01 -0.885711D+00  0.109769D+01
                71            72            73            74            75 
      1   0.300141D+01  0.109769D+01  0.775897D+01  0.258588D+01  0.333015D+01
      2  -0.830230D+00 -0.145106D+01  0.258588D+01  0.127302D+01  0.133585D+01
      3  -0.145106D+01 -0.865694D+00  0.333015D+01  0.133585D+01  0.232274D+01
                76            77            78            79            80 
      1   0.185007D+01  0.130653D+01  0.944430D+00  0.343049D+01  0.170331D+01
      2   0.130653D+01  0.203144D+01  0.149572D+01  0.170331D+01  0.205267D+01
      3   0.944430D+00  0.149572D+01  0.131448D+01  0.220516D+01  0.829096D+00
                81            82            83            84            85 
      1   0.220516D+01  0.852614D+00  0.136788D+01 -0.350393D+00  0.137524D+01
      2   0.829096D+00  0.136788D+01  0.204747D+01 -0.263797D+00  0.107034D+01
      3   0.128247D+01 -0.350393D+00 -0.263797D+00 -0.132205D+00 -0.296817D+00
                86            87            88            89            90 
      1   0.107034D+01 -0.296817D+00 -0.801398D+00 -0.715484D+00 -0.136752D+00
      2   0.131802D+02 -0.857319D+00 -0.715484D+00 -0.371793D+01  0.207125D+01
      3  -0.857319D+00  0.101661D+01 -0.136752D+00  0.207125D+01 -0.815424D-01
                91            92            93            94            95 
      1  -0.117468D+01  0.690809D+00  0.135330D+01  0.154726D+00 -0.643749D+00
      2   0.690809D+00 -0.791553D+00 -0.117418D+01 -0.643749D+00  0.354761D+01
      3   0.135330D+01 -0.117418D+01 -0.179211D+01 -0.497177D+00  0.198603D+01
                96            97            98            99           100 
      1  -0.497177D+00  0.157665D+01 -0.142608D+01 -0.168328D+01  0.867242D+01
      2   0.198603D+01 -0.142608D+01  0.356754D+01  0.432173D+01 -0.939772D-01
      3   0.165229D+01 -0.168328D+01  0.432173D+01  0.808079D+01  0.208575D+01
               101           102           103           104           105 
      1  -0.939772D-01  0.208575D+01  0.296858D+01  0.523702D+00  0.659902D+00
      2   0.879606D+00  0.117374D+00  0.523702D+00  0.343071D+00  0.449880D+00
      3   0.117374D+00  0.160428D+01  0.659902D+00  0.449880D+00  0.475764D+00
               106           107           108           109           110 
      1   0.379147D+01 -0.167905D+00  0.212347D+01  0.221970D+01 -0.875232D+00
      2  -0.167905D+00  0.821581D+00 -0.196263D+00 -0.875232D+00  0.397708D+00
      3   0.212347D+01 -0.196263D+00  0.112766D+01 -0.155101D+01  0.933744D+00
               111           112           113           114           115 
      1  -0.155101D+01 -0.721272D+00  0.162727D+01  0.995773D+00 -0.356009D+01
      2   0.933744D+00  0.162727D+01 -0.309915D+01 -0.148586D+01  0.286489D+01
      3   0.167231D+01  0.995773D+00 -0.148586D+01 -0.158317D+01  0.343646D+01
               116           117           118           119           120 
      1   0.286489D+01  0.343646D+01 -0.398675D+00 -0.396690D+00  0.495375D+00
      2  -0.324537D+01 -0.352534D+01 -0.396690D+00 -0.196783D+01  0.432580D+00
      3  -0.352534D+01 -0.717738D+01  0.495375D+00  0.432580D+00 -0.112308D+00
               121           122           123           124           125 
      1  -0.192875D+01  0.182004D+01  0.334960D+00  0.100086D+01 -0.151301D+00
      2   0.182004D+01 -0.101827D+02  0.170728D+01 -0.151301D+00  0.319150D+01
      3   0.334960D+00  0.170728D+01 -0.149047D+01  0.677484D+00 -0.222363D+01
               126           127           128           129           130 
      1   0.677484D+00  0.421145D+00 -0.101935D+01 -0.859807D-01 -0.162914D+01
      2  -0.222363D+01 -0.101935D+01 -0.316687D+00  0.102622D+00  0.728994D+00
      3   0.566542D+00 -0.859807D-01  0.102622D+00 -0.182290D+00  0.387793D+00
               131           132           133           134           135 
      1   0.728994D+00  0.387793D+00 -0.605126D-01  0.500646D+00  0.836034D-01
      2  -0.765499D+01 -0.327785D+01  0.500646D+00 -0.285698D+01 -0.212008D+01
      3  -0.327785D+01 -0.219166D+01  0.836034D-01 -0.212008D+01 -0.221306D+01
               136           137           138           139           140 
      1  -0.701354D+00 -0.237162D+01 -0.435913D+01 -0.311089D+01  0.102242D+01
      2  -0.237162D+01  0.591760D+00  0.176929D+00  0.102242D+01  0.662969D+01
      3  -0.435913D+01  0.176929D+00  0.122339D+01  0.293578D+00 -0.261229D+01
               141           142           143           144           145 
      1   0.293578D+00 -0.442708D+01  0.921531D-01  0.135878D+01  0.107948D+01
      2  -0.261229D+01  0.921531D-01 -0.147409D+01 -0.189013D+01 -0.313910D+01
      3  -0.197605D+01  0.135878D+01 -0.189013D+01  0.241111D+01 -0.393719D+01
               146           147           148           149           150 
      1  -0.313910D+01 -0.393719D+01 -0.457776D+01  0.136583D+01 -0.234809D+00
      2  -0.543977D-01 -0.231774D+00  0.136583D+01  0.716088D+01 -0.100440D+01
      3  -0.231774D+00  0.133072D+01 -0.234809D+00 -0.100440D+01 -0.201277D+01
               151           152           153           154           155 
      1  -0.497521D+01 -0.105328D+00  0.212616D+01 -0.679630D+01  0.435805D+01
      2  -0.105328D+00 -0.136576D+01 -0.161747D+01  0.435805D+01 -0.408009D+01
      3   0.212616D+01 -0.161747D+01  0.448688D+01  0.763113D-01  0.268518D+00
               156           157           158           159           160 
      1   0.763113D-01  0.323189D+01 -0.341042D+01  0.362122D+00  0.294836D+00
      2   0.268518D+00 -0.341042D+01  0.425779D+01  0.871775D-01  0.278067D+00
      3  -0.719421D+00  0.362122D+00  0.871775D-01  0.447095D+00 -0.875761D+00
               161           162           163           164           165 
      1   0.278067D+00 -0.875761D+00 -0.394861D+01 -0.314348D+00 -0.319503D+01
      2   0.256810D+00  0.874943D+00 -0.314348D+00 -0.536918D+00 -0.226849D+00
      3   0.874943D+00 -0.236193D+00 -0.319503D+01 -0.226849D+00 -0.412603D+01
               166           167           168           169           170 
      1  -0.810223D+00 -0.588922D+00 -0.700334D+00 -0.258923D+01 -0.287334D+00
      2  -0.588922D+00 -0.388980D+00 -0.706630D+00 -0.287334D+00 -0.572555D+00
      3  -0.700334D+00 -0.706630D+00 -0.646541D+00 -0.324483D+01 -0.118133D-01
               171           172           173           174           175 
      1  -0.324483D+01  0.309203D+01  0.155893D+01 -0.264560D+01  0.124546D+01
      2  -0.118133D-01  0.155893D+01  0.188557D+01 -0.207318D+01  0.141146D+01
      3  -0.618022D+01 -0.264560D+01 -0.207318D+01  0.337305D+01 -0.161055D+01
               176           177           178           179           180 
      1   0.141146D+01 -0.161055D+01 -0.143864D+01 -0.958217D+00  0.152179D+01
      2   0.233023D+01 -0.193364D+01 -0.958217D+00 -0.116295D+01  0.176700D+01
      3  -0.193364D+01  0.259932D+01  0.152179D+01  0.176700D+01 -0.403504D+01
               181           182           183           184           185 
      1   0.515259D+01  0.789205D+00  0.118126D+01  0.146580D+01  0.295944D+00
      2   0.789205D+00  0.675187D+00 -0.571459D-01  0.295944D+00 -0.550449D+00
      3   0.118126D+01 -0.571459D-01  0.318038D+01  0.422035D-01  0.751446D+00
               186           187           188           189           190 
      1   0.422035D-01  0.115250D+01  0.299024D+00  0.186745D+01 -0.397910D+00
      2   0.751446D+00  0.299024D+00  0.909606D+00  0.342472D+00 -0.752087D+00
      3   0.122365D+01  0.186745D+01  0.342472D+00  0.191587D+01  0.889371D+00
               191           192           193           194           195 
      1  -0.752087D+00  0.889371D+00 -0.113995D+01 -0.105369D+01  0.413733D+00
      2  -0.382162D+00  0.112130D+00 -0.105369D+01 -0.827111D+01  0.325899D+01
      3   0.112130D+00 -0.467404D+00  0.413733D+00  0.325899D+01 -0.268482D+01
               196           197           198           199           200 
      1   0.414040D+00  0.644686D-01 -0.322186D+00 -0.468011D+01  0.834453D+00
      2   0.644686D-01  0.105429D+01 -0.115575D+01  0.834453D+00 -0.109077D+01
      3  -0.322186D+00 -0.115575D+01  0.986035D+00  0.361635D+01 -0.361730D+00
               201           202           203           204           205 
      1   0.361635D+01  0.192555D+01 -0.101293D+01 -0.125519D+01  0.245155D+01
      2  -0.361730D+00 -0.101293D+01  0.252327D+00  0.114068D+01 -0.436361D+00
      3  -0.403195D+01 -0.125519D+01  0.114068D+01  0.205022D+01 -0.262218D+01
               206           207           208           209           210 
      1  -0.436361D+00 -0.262218D+01 -0.773505D+00  0.636432D+00 -0.123683D+01
      2   0.779623D+00  0.675553D+00  0.636432D+00  0.334740D-01 -0.954375D-01
      3   0.675553D+00  0.384957D+01 -0.123683D+01 -0.954375D-01 -0.137777D+01
               211           212           213           214           215 
      1   0.134105D+01 -0.168683D+00  0.792446D-01 -0.269650D+01 -0.610239D+00
      2  -0.168683D+00 -0.210841D+00 -0.761878D+00 -0.610239D+00 -0.119842D+01
      3   0.792446D-01 -0.761878D+00  0.875025D+00 -0.236045D+01  0.319640D+00
               216           217           218           219           220 
      1  -0.236045D+01 -0.826929D+01  0.677391D+00  0.216902D+01  0.346602D+01
      2   0.319640D+00  0.677391D+00 -0.100816D+01 -0.267723D+00 -0.127869D+01
      3  -0.669704D+01  0.216902D+01 -0.267723D+00 -0.152087D+01 -0.603481D+00
               221           222           223           224           225 
      1  -0.127869D+01 -0.603481D+00  0.457454D+01 -0.757263D-01 -0.205133D+01
      2   0.103494D+00  0.542821D+00 -0.757263D-01  0.923664D+00  0.392565D+00
      3   0.542821D+00  0.894139D+00 -0.205133D+01  0.392565D+00  0.134726D+01
               226           227           228           229           230 
      1  -0.842575D+00 -0.723124D+00  0.377321D+00 -0.235638D+01 -0.300815D+01
      2  -0.723124D+00 -0.240378D+00  0.555458D-01 -0.300815D+01 -0.928492D+01
      3   0.377321D+00  0.555458D-01 -0.590678D-01 -0.111484D+00  0.248718D+00
               231           232           233           234 
      1  -0.111484D+00  0.905387D+00  0.329805D+00 -0.606867D+00
      2   0.248718D+00  0.329805D+00  0.863049D+00 -0.856098D+00
      3  -0.103163D+01 -0.606867D+00 -0.856098D+00 -0.947619D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.146464D+01  0.153012D+01  0.120819D+00  0.287685D+01  0.929618D+01
      2   0.291378D+01 -0.178871D+01 -0.280031D+01  0.822192D+00  0.946315D+01
      3  -0.208427D+01 -0.553027D+01  0.128958D+01  0.125814D+01 -0.443724D+02
                 6             7             8             9            10 
      1  -0.180901D+01  0.961428D+00  0.483988D+01  0.171118D+00 -0.856379D+00
      2   0.106423D+02 -0.101340D+02  0.146221D+02  0.165655D+02 -0.613106D+00
      3  -0.126642D+02  0.146865D+01 -0.101039D+02 -0.142890D+02  0.332324D+01
                11            12            13            14            15 
      1  -0.707705D+01 -0.392214D+01 -0.363152D+01 -0.158418D+02  0.216352D+00
      2   0.229747D+01  0.250032D+01 -0.374241D+00 -0.435779D+01 -0.167360D+01
      3  -0.410498D+01 -0.276218D+01  0.469015D+01  0.840995D+01  0.586656D+01
                16            17            18            19            20 
      1  -0.573283D+01  0.165881D+02  0.134544D+02 -0.138628D+01 -0.176743D+01
      2  -0.629415D+00 -0.267718D+01 -0.538718D+01 -0.641605D-01  0.558833D+01
      3  -0.880217D+00  0.949291D+01  0.108760D+02  0.981011D+01 -0.642774D+01
                21            22            23            24            25 
      1  -0.367773D+00 -0.234701D+01 -0.118831D+02 -0.207641D+01 -0.271536D+01
      2   0.129213D+01  0.448123D+01 -0.111695D+02 -0.119470D+02 -0.581876D+01
      3  -0.450415D+01  0.320991D+01  0.432828D+02  0.139873D+02 -0.260973D+01
                26            27            28            29            30 
      1   0.464946D+01  0.284548D+01 -0.145921D+01 -0.557887D+01 -0.455525D+01
      2  -0.108159D+02 -0.163792D+02 -0.524293D+01 -0.887761D+01 -0.577556D+01
      3   0.140344D+02  0.113995D+02  0.108849D+02 -0.186465D+01  0.101096D+02
                31            32            33            34            35 
      1  -0.300253D+01 -0.617558D+01  0.209421D+01 -0.977638D+01  0.132304D+02
      2  -0.811723D+01 -0.277261D+01  0.387425D+01 -0.157002D+02  0.133152D+02
      3   0.127041D+02 -0.288398D+02  0.542610D+01  0.103828D+02  0.103621D+02
                36            37            38            39            40 
      1   0.937854D+01 -0.885524D+00  0.278104D+00  0.491854D+01 -0.447053D+01
      2   0.145970D+02  0.820623D+01  0.295953D+01  0.333151D+01 -0.315653D+01
      3  -0.408315D+01 -0.135066D+02 -0.806916D+01 -0.790592D+00  0.806532D+01
                41            42            43            44            45 
      1   0.118775D+01 -0.112833D+02  0.773456D+01  0.161540D+00  0.486164D+01
      2   0.267941D+01 -0.486902D+01 -0.933445D+01 -0.418418D+01  0.426270D+01
      3   0.213827D+01  0.287547D+01  0.481392D+01 -0.195106D+00 -0.634573D+01
                46            47            48            49            50 
      1   0.453934D+01 -0.197425D+00 -0.220377D+01 -0.802677D+00 -0.143974D+01
      2  -0.132606D+02 -0.308253D+01  0.653737D+01  0.662256D+00 -0.177984D+01
      3   0.118357D+02 -0.498018D+01 -0.168461D+01 -0.271414D+01 -0.155093D+02
                51            52            53            54            55 
      1  -0.196450D+01 -0.242011D+01  0.686232D+01 -0.303557D+01  0.288784D+01
      2  -0.967236D+00 -0.484002D+00 -0.342200D+01  0.697716D+01  0.268315D+01
      3   0.243077D+01 -0.723993D+01  0.221695D+01  0.508522D+01 -0.411927D+01
                56            57            58            59            60 
      1   0.248638D+01  0.636551D+01  0.313050D+01  0.399478D+01 -0.673852D+01
      2   0.181306D+01  0.438177D+01  0.160673D+01  0.264615D+01 -0.362523D+01
      3  -0.561026D+01 -0.369611D+01  0.348271D+01  0.122421D+02 -0.541197D+01
                61            62            63            64            65 
      1   0.472138D+01  0.279974D+00 -0.888339D+01 -0.220914D+01  0.319721D+01
      2  -0.187795D+01 -0.260901D+01 -0.516873D+01 -0.163365D+01 -0.457757D+01
      3  -0.538443D+01 -0.657389D+01 -0.142542D+01  0.208085D+01 -0.437854D+01
                66            67            68            69            70 
      1  -0.128634D+02  0.632348D+01 -0.178431D+01  0.751557D+01 -0.106908D+02
      2   0.101495D+02 -0.133928D+01 -0.470335D+01  0.145839D+02  0.303625D+01
      3   0.660374D+01 -0.197842D+01 -0.207408D+01 -0.112732D+01  0.491550D+01
                71            72            73            74            75 
      1   0.803275D+01  0.287498D+01 -0.201537D+01  0.313863D+00 -0.293154D+01
      2   0.921680D+01  0.447510D+01 -0.483487D+00  0.115542D+01  0.580959D+01
      3   0.503238D+00  0.943225D+00  0.522225D+01 -0.206815D+01  0.140102D+01
                76            77            78            79            80 
      1  -0.350709D+00 -0.685607D+00 -0.116993D+01 -0.171995D+01  0.276777D+01
      2  -0.930364D-01  0.292519D+01  0.282661D+01  0.323676D+00 -0.156359D+01
      3   0.131831D+01 -0.230853D+01 -0.158068D+01  0.128880D+01 -0.412301D+01
                81            82            83            84            85 
      1  -0.115729D+01  0.163729D+01  0.254320D+01 -0.512436D-01  0.459727D+00
      2   0.102680D+01 -0.690565D+00 -0.385189D+00  0.142570D+01 -0.114311D+01
      3   0.148467D+01  0.211718D+01  0.118305D+01 -0.709049D+00  0.706750D+01
                86            87            88            89            90 
      1   0.124015D+02 -0.622885D+01  0.578309D+00 -0.725921D+01  0.245430D+01
      2   0.122149D+01  0.761285D+00 -0.564403D+00  0.839651D+00  0.313456D+00
      3  -0.511171D+01 -0.491252D+00 -0.280839D+01 -0.330470D+00 -0.181682D+01
                91            92            93            94            95 
      1  -0.296326D+01  0.174563D+01  0.402319D+01  0.428960D+00 -0.293390D+00
      2   0.210754D+01 -0.114139D+01 -0.855825D+00 -0.805972D+00  0.209307D+01
      3  -0.428569D+01  0.435907D+00  0.397833D+01  0.209028D+01 -0.388515D+01
                96            97            98            99           100 
      1  -0.274972D+01  0.315558D+01 -0.421755D+01 -0.170576D+02  0.368478D+01
      2   0.706594D+00 -0.547616D+01  0.285415D+01  0.415582D+01  0.736600D+01
      3  -0.258218D+01  0.755838D+01 -0.610408D+01 -0.696970D+01 -0.124284D+02
               101           102           103           104           105 
      1   0.934708D+00  0.258774D+01  0.791213D+00  0.118538D+01 -0.140909D+00
      2   0.348170D+00  0.787640D+01  0.189099D+01  0.141582D+01  0.214695D+01
      3  -0.553055D+01 -0.384951D+01 -0.332054D+01 -0.272014D+01 -0.228583D+01
               106           107           108           109           110 
      1   0.275800D+01  0.686062D+00  0.131207D+01 -0.238091D+01  0.153845D+01
      2   0.487214D+01  0.167461D-01  0.455687D+01 -0.305243D+01  0.239689D+01
      3  -0.513192D+01 -0.369414D+01 -0.218387D+01 -0.725216D+00 -0.201736D+01
               111           112           113           114           115 
      1   0.326787D+01  0.172409D+01 -0.759757D+00 -0.347871D+01  0.570918D+01
      2   0.524437D+01  0.249011D+01 -0.384647D+01 -0.468722D+01  0.608707D+01
      3  -0.117443D+01 -0.218448D+01  0.732927D+01  0.276933D+01 -0.181377D+01
               116           117           118           119           120 
      1  -0.383631D+01 -0.122563D+02  0.525112D+00  0.195979D+01 -0.437416D+00
      2  -0.883259D+01 -0.205947D+02  0.141428D+01  0.215930D+01  0.428545D+00
      3   0.570419D+01  0.511703D+01  0.231500D+01  0.556099D+01 -0.243288D+01
               121           122           123           124           125 
      1  -0.527881D+00  0.580778D+01 -0.562467D+01  0.132532D+01 -0.425057D+01
      2   0.132946D+01  0.483753D+01 -0.446511D+01  0.456166D+00 -0.553515D+01
      3   0.425360D+00  0.284291D+02 -0.590777D+01 -0.225380D+01 -0.100450D+02
               126           127           128           129           130 
      1   0.189678D+01  0.119025D+01 -0.316434D+00 -0.184310D+00 -0.515426D+00
      2   0.199061D+01  0.933807D+00 -0.918441D+00  0.107666D+01 -0.287245D+01
      3   0.540900D+01 -0.641975D+00 -0.298278D+00 -0.204319D+00  0.571774D+01
               131           132           133           134           135 
      1   0.568980D+01 -0.255552D+01 -0.215797D+00  0.324439D+01 -0.957142D+00
      2   0.693838D+00  0.879727D-01 -0.231934D+01  0.424948D-01 -0.598431D+00
      3   0.479360D+00 -0.390689D-01  0.962727D+00  0.491486D+00  0.197164D+00
               136           137           138           139           140 
      1  -0.112447D+02  0.816016D+00  0.210794D+01  0.331056D+01  0.136103D+02
      2   0.111244D+02  0.483400D+01  0.107765D+02  0.600246D+01  0.107937D+01
      3  -0.350907D+01  0.472096D+00  0.491141D+01  0.651528D+01  0.874477D+01
               141           142           143           144           145 
      1  -0.121410D+02  0.934885D+00 -0.399830D+01 -0.270138D+01 -0.269788D+01
      2   0.160447D+01  0.601065D+01  0.337128D+01 -0.453924D+01  0.116784D+02
      3  -0.406470D+01  0.423528D+01 -0.245781D+01 -0.380614D+01 -0.136886D+02
               146           147           148           149           150 
      1   0.284972D+00  0.241102D+01 -0.567126D+00 -0.350420D+01 -0.392831D+01
      2  -0.141154D+01 -0.497187D+01 -0.299601D+01  0.262273D+01  0.570863D+01
      3   0.285913D+01  0.411083D+01  0.123662D+02  0.219039D+02 -0.246352D+01
               151           152           153           154           155 
      1   0.411646D+01  0.511402D+00  0.774833D+01 -0.123887D+01  0.610055D+00
      2  -0.138940D+02  0.412974D+01 -0.161258D+02 -0.125305D+01  0.801766D+00
      3   0.534465D+01 -0.308166D+01 -0.781717D+01 -0.742413D+01 -0.166062D+01
               156           157           158           159           160 
      1   0.287092D+01  0.422029D+00 -0.152219D+01 -0.326367D+01  0.128748D+01
      2   0.371698D+01  0.348518D+00 -0.102309D+01 -0.219710D+01 -0.539941D-01
      3   0.239023D+00  0.411296D+01  0.853790D+00  0.627631D+00  0.509183D+00
               161           162           163           164           165 
      1  -0.289493D+00  0.400685D+00  0.350232D+01  0.390694D+01  0.424611D+01
      2  -0.789392D+00  0.155105D+00 -0.102346D+02 -0.140659D+01 -0.346607D+01
      3   0.115891D+01 -0.356019D+00 -0.313150D+01 -0.281186D+01 -0.240050D+01
               166           167           168           169           170 
      1   0.169533D+01  0.173492D+01  0.388571D+00  0.358972D+01  0.347823D+01
      2  -0.220064D+01 -0.722993D+00 -0.174540D+01 -0.722442D+01 -0.146762D+01
      3   0.642083D+00 -0.513052D-01 -0.546999D+00 -0.156796D+01 -0.191101D+01
               171           172           173           174           175 
      1   0.356442D+01 -0.154464D+01 -0.454250D+01  0.561447D+00 -0.239691D+01
      2  -0.288509D+01  0.930178D+01  0.358458D+01 -0.408503D+01  0.436400D+01
      3  -0.155533D+01  0.450231D+01  0.451643D+00 -0.250260D+01  0.401362D+01
               176           177           178           179           180 
      1  -0.361402D+01 -0.319066D+00  0.104133D+01  0.281904D+01 -0.579830D+00
      2   0.354822D+01 -0.397579D+01 -0.536617D+01 -0.312645D+01  0.375102D+01
      3   0.859866D+00 -0.206076D+01 -0.258149D+01 -0.203534D+00  0.216625D+01
               181           182           183           184           185 
      1   0.557721D+01  0.310023D+01  0.150210D+01  0.229135D+01  0.251915D+00
      2  -0.199420D+02 -0.351627D+01 -0.222032D+01 -0.565431D+01 -0.152744D+01
      3  -0.277277D+01 -0.158213D+01 -0.116570D+01  0.714057D+00 -0.396409D+00
               186           187           188           189           190 
      1   0.140594D+01  0.246865D+01  0.358193D+01  0.212951D+01 -0.284927D+00
      2  -0.435011D+00 -0.516545D+01 -0.162450D+01 -0.591991D+01 -0.631333D+00
      3   0.181869D+00 -0.905318D+00 -0.828122D+00 -0.405055D+00 -0.645352D+00
               191           192           193           194           195 
      1  -0.767980D+00 -0.601926D+00 -0.171818D+01 -0.157461D+02  0.665483D+00
      2   0.945731D+00 -0.327361D+00  0.296030D+01 -0.221391D+01  0.284815D+01
      3  -0.689918D+00 -0.514702D+00  0.310254D+01 -0.975214D+01  0.377813D+01
               196           197           198           199           200 
      1  -0.359920D-01  0.308948D+01 -0.148435D+01  0.544561D+01 -0.457730D+01
      2  -0.155483D+01  0.753747D+00 -0.561454D+00  0.613414D+01 -0.181759D+01
      3  -0.540927D+00  0.126030D+01 -0.103625D+01  0.434930D+01 -0.430776D+01
               201           202           203           204           205 
      1  -0.418503D+01 -0.292698D+01  0.236091D+01  0.300280D+01 -0.350955D+01
      2   0.308241D+00 -0.292756D+01  0.556938D-03 -0.128904D+01 -0.477255D+01
      3  -0.352159D+01 -0.159602D+01  0.185476D+01  0.245809D+01 -0.253757D+01
               206           207           208           209           210 
      1   0.389821D+01  0.484251D+01 -0.235473D+01 -0.114119D+00 -0.101954D+01
      2   0.165752D+00 -0.162060D+00  0.384735D+01  0.149492D+01  0.342061D+01
      3   0.232596D+01  0.324769D+01  0.257614D+01 -0.950436D+00  0.816179D+00
               211           212           213           214           215 
      1  -0.441791D+00 -0.113487D+01  0.123422D+01 -0.112954D+01  0.435509D+01
      2   0.215442D+01  0.267411D+01 -0.381781D+01  0.786809D+00 -0.300527D+01
      3  -0.345269D+00  0.225513D+00 -0.222951D+01  0.644141D+00 -0.420567D+01
               216           217           218           219           220 
      1  -0.859570D+01  0.229611D+01 -0.657674D+00 -0.149180D+01 -0.463028D+00
      2   0.206966D+02 -0.911986D+01  0.129657D+01  0.880294D+01  0.276482D+01
      3   0.409293D+01  0.116965D+02 -0.657203D+01 -0.343939D+01 -0.559238D+01
               221           222           223           224           225 
      1   0.847669D+00 -0.257209D+00 -0.208318D+01  0.114743D+01  0.751007D+00
      2  -0.213466D+01 -0.383793D+01  0.618000D+01 -0.125699D+01 -0.557064D+01
      3   0.247150D+01  0.229227D+01 -0.500926D+01  0.432341D+01  0.364748D+01
               226           227           228           229           230 
      1   0.771272D+00  0.351085D+00 -0.168096D+00  0.474692D+00  0.365428D+01
      2  -0.125566D+01 -0.390753D+00  0.137841D+01 -0.197109D+00 -0.164902D+01
      3  -0.158592D+01 -0.163865D+01 -0.469929D+00 -0.218922D+01 -0.243660D+02
               231           232           233           234 
      1  -0.474906D+01 -0.517507D+00 -0.241249D+00  0.385348D+00
      2   0.374144D+01  0.104151D+01  0.174424D+01  0.137137D+00
      3   0.993825D+00 -0.859347D+00  0.198347D+01 -0.157653D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.145162D+02  0.322064D+01 -0.229691D+01  0.627758D+01 -0.267533D+02
      2   0.967932D+01 -0.113023D+00  0.252827D+01  0.100004D+01  0.329877D+02
      3   0.483691D+01 -0.310762D+01 -0.231355D+00 -0.727762D+01 -0.623446D+01
      4  -0.575014D+01  0.203502D+01 -0.119450D+02 -0.150713D+01  0.540408D+02
      5  -0.172625D+02 -0.789584D+01 -0.502980D+01 -0.124863D+02  0.492259D+01
      6  -0.579378D+01 -0.793381D+01 -0.534869D+01 -0.535311D+01  0.702566D+01
                 6             7             8             9            10 
      1  -0.130822D+02 -0.370230D+01 -0.146772D+02 -0.194070D+02  0.979030D+00
      2   0.974922D+01  0.221915D+01  0.181209D+01  0.235714D+01  0.317753D+01
      3   0.333296D+01  0.148314D+01  0.128651D+02  0.170499D+02 -0.415656D+01
      4   0.466504D+01 -0.198091D+02  0.292247D+01  0.119765D+02 -0.195874D+01
      5   0.660405D+01 -0.413973D+01  0.771103D+01  0.104870D+02  0.210189D+01
      6   0.794603D+01 -0.360917D+01  0.119585D+02  0.619549D+01  0.213174D+01
                11            12            13            14            15 
      1  -0.402294D+01 -0.100398D+02  0.232731D+01  0.394860D+02  0.234483D+01
      2  -0.452112D+01  0.101599D+02 -0.639985D+01 -0.582892D+02  0.664340D+01
      3   0.854406D+01 -0.120081D+00  0.407254D+01  0.188032D+02 -0.898824D+01
      4   0.331661D+01  0.424060D+01  0.892877D+01 -0.180852D+02  0.465034D+01
      5   0.154623D+01 -0.186390D+01  0.343595D+01  0.311366D+00  0.267537D+01
      6   0.155743D+02  0.128333D+02  0.692690D+01  0.557538D+01 -0.598063D+01
                16            17            18            19            20 
      1  -0.105708D+02 -0.118267D+01  0.206259D+02  0.142875D+02 -0.474842D+00
      2   0.624958D+01  0.230306D+02 -0.708536D+01 -0.125120D+02 -0.182437D+01
      3   0.432124D+01 -0.218480D+02 -0.135405D+02 -0.177550D+01  0.229921D+01
      4   0.463694D+01  0.852001D+01  0.435193D+01 -0.366344D+01  0.480706D+01
      5   0.366656D+00  0.566439D+01  0.672985D+01  0.123915D+01  0.809615D+01
      6   0.126190D+02 -0.198558D+02 -0.261403D+02 -0.270175D+01 -0.593501D+01
                21            22            23            24            25 
      1   0.483382D+01  0.165655D+01  0.108348D+02  0.116884D+02 -0.246895D+01
      2  -0.341923D+01 -0.201265D+01 -0.760779D+01 -0.172102D+01 -0.607743D+00
      3  -0.141459D+01  0.356100D+00 -0.322702D+01 -0.996739D+01  0.307670D+01
      4   0.521164D+01 -0.119099D+01 -0.554363D+02 -0.156308D+02 -0.283268D+01
      5   0.521417D+01  0.462191D+01 -0.105995D+02 -0.116719D+02  0.140491D+02
      6  -0.239986D+00 -0.870260D+00 -0.807341D+01 -0.170923D+01 -0.802377D+00
                26            27            28            29            30 
      1   0.971682D+01  0.114036D+02 -0.317552D+02 -0.292981D+01 -0.159373D+02
      2  -0.101737D+02 -0.128406D+02  0.252427D+02 -0.585976D+01  0.102726D+02
      3   0.456848D+00  0.143706D+01  0.651244D+01  0.878957D+01  0.566465D+01
      4  -0.176349D+02 -0.134067D+02 -0.442034D+01  0.340387D+01 -0.103564D+02
      5  -0.109138D+02 -0.146156D+02 -0.116868D+02 -0.142321D+02 -0.158532D+02
      6   0.405331D+01 -0.556365D+01  0.198293D+01  0.853686D+01  0.696523D+01
                31            32            33            34            35 
      1  -0.165186D+02  0.131594D+02 -0.167259D+02 -0.190561D+02 -0.209871D+02
      2   0.703735D+01 -0.251740D+02  0.163199D+02  0.760617D+01  0.255590D+02
      3   0.948128D+01  0.120146D+02  0.405971D+00  0.114499D+02 -0.457187D+01
      4  -0.205366D+01  0.367037D+02  0.170220D+01 -0.123899D+02  0.362316D+00
      5  -0.135607D+02 -0.462607D+01  0.986540D+01 -0.263053D+02  0.244091D+02
      6   0.247005D+01  0.123816D+02 -0.786671D+01  0.127995D+02 -0.172383D+02
                36            37            38            39            40 
      1  -0.135152D+02 -0.126089D+02 -0.381571D+01  0.140070D+01 -0.126571D+02
      2   0.101964D+02  0.884668D+01  0.316223D+01 -0.247057D+01  0.681178D+00
      3   0.331879D+01  0.376219D+01  0.653484D+00  0.106988D+01  0.119759D+02
      4   0.214622D+02  0.592748D+01  0.214122D+01  0.469556D+01  0.147031D+01
      5   0.305848D+02  0.388815D+01 -0.309551D+00  0.724741D-01 -0.531750D+00
      6  -0.171406D+02  0.680024D+01 -0.429198D-01  0.333499D+01 -0.439254D+00
                41            42            43            44            45 
      1   0.202305D+02  0.332942D+01  0.906900D+01  0.112946D+02  0.969123D+00
      2  -0.115650D+02 -0.967492D+01 -0.247414D+01 -0.136890D+02  0.430178D+01
      3  -0.866548D+01  0.634550D+01 -0.659486D+01  0.239446D+01 -0.527091D+01
      4  -0.735470D+01 -0.147848D+01  0.919144D+01 -0.128593D+00  0.140014D+01
      5   0.115334D+01  0.504437D+01 -0.504967D+01  0.108842D+01 -0.119214D+01
      6  -0.120532D+02 -0.179685D+02 -0.541222D+00 -0.105754D+02  0.383778D+01
                46            47            48            49            50 
      1  -0.641866D+00 -0.861677D+01 -0.142902D+02 -0.108363D+02 -0.424376D+01
      2  -0.643227D+01  0.211840D+01  0.104992D+02  0.851745D+01  0.356359D+01
      3   0.707413D+01  0.649836D+01  0.379099D+01  0.231881D+01  0.680167D+00
      4  -0.151766D+02  0.228032D+01 -0.921935D+01  0.470413D+01  0.181657D+02
      5  -0.169792D+02 -0.470424D+01  0.729446D+01  0.636291D+00 -0.612307D+01
      6  -0.964454D+01 -0.101432D+00  0.134934D+01 -0.829473D+00 -0.373489D+01
                51            52            53            54            55 
      1  -0.604653D+01 -0.200312D+02 -0.827973D+01  0.103618D+02 -0.918919D+01
      2  -0.211702D+01  0.107101D+02  0.355701D+01 -0.449449D+01 -0.524271D+01
      3   0.816355D+01  0.932103D+01  0.472272D+01 -0.586735D+01  0.144319D+02
      4  -0.799619D+01 -0.800542D+01 -0.876638D+01  0.207351D+01  0.212607D+02
      5  -0.443485D+01  0.968421D+01 -0.104640D+01  0.475131D+01  0.313891D+00
      6   0.712755D+01  0.513952D+01 -0.814759D+00  0.329895D+01  0.117193D+01
                56            57            58            59            60 
      1   0.814232D+01  0.335455D+01  0.378145D+01 -0.129644D+02  0.327954D+01
      2   0.463506D+01 -0.106452D+02  0.394671D+01  0.946009D+01 -0.863088D+00
      3  -0.127774D+02  0.729070D+01 -0.772816D+01  0.350429D+01 -0.241645D+01
      4  -0.239066D+02  0.160896D+01 -0.214931D+02  0.606533D+01  0.319259D+01
      5   0.193762D+01  0.609554D+00 -0.169130D+01  0.235166D+01  0.389720D+00
      6  -0.969333D+01 -0.619407D+01 -0.589933D+01  0.282664D+01 -0.100669D+00
                61            62            63            64            65 
      1   0.111602D+01  0.632671D+01  0.219160D+01  0.794112D+01  0.862851D+01
      2  -0.601071D+01 -0.798189D+01  0.842602D+01  0.661621D+01  0.172410D+01
      3   0.489470D+01  0.165518D+01 -0.106176D+02 -0.145573D+02 -0.103526D+02
      4   0.434982D+01  0.446527D+01 -0.795402D+01 -0.411515D+01 -0.162296D+00
      5   0.307463D+01 -0.222127D+01 -0.139337D+01 -0.334211D+01  0.355522D+01
      6  -0.551888D+01  0.569740D+01  0.684891D+01  0.703946D+01  0.148561D+02
                66            67            68            69            70 
      1  -0.353933D+01  0.130591D+02 -0.263268D+01 -0.187913D+01  0.943139D+00
      2   0.150853D+02  0.406996D+01 -0.267080D+01 -0.252553D+01  0.110274D+02
      3  -0.115459D+02 -0.171290D+02  0.530348D+01  0.440466D+01 -0.119705D+02
      4   0.260363D+01  0.291427D+01 -0.274395D+01  0.870769D+01 -0.291511D+01
      5  -0.184087D+02  0.140362D+01  0.593491D+01 -0.139953D+02 -0.133570D+02
      6  -0.109652D+02  0.134600D+02 -0.556710D+01  0.549653D+01 -0.499955D+01
                71            72            73            74            75 
      1  -0.685297D+01 -0.516753D+01  0.344054D+02  0.953554D+01  0.105257D+02
      2   0.452670D+01 -0.204042D+01 -0.191890D+02 -0.443651D+01 -0.921546D+01
      3   0.232627D+01  0.720794D+01 -0.152164D+02 -0.509903D+01 -0.131027D+01
      4   0.539989D+01 -0.339811D-01  0.268053D+02  0.147428D+02  0.118931D+02
      5  -0.618958D+01 -0.480122D+01  0.236507D+02  0.926973D+01  0.169424D+02
      6   0.565698D-01  0.937682D+00  0.804777D+01  0.524407D+01  0.583430D+01
                76            77            78            79            80 
      1   0.433565D+01  0.307893D+00 -0.454899D+00  0.120238D+02  0.357065D+01
      2  -0.715756D+00  0.251849D+01  0.287231D+00 -0.815882D+01  0.748674D+00
      3  -0.361990D+01 -0.282638D+01  0.167668D+00 -0.386495D+01 -0.431933D+01
      4   0.128580D+02  0.118232D+02  0.869603D+01  0.140978D+02  0.131270D+02
      5   0.634668D+01  0.781894D+01  0.662790D+01  0.148741D+02  0.525123D+01
      6   0.491541D+01  0.657009D+01  0.564492D+01  0.599224D+01  0.489277D+01
                81            82            83            84            85 
      1   0.546158D+01 -0.121516D+01 -0.481872D+01  0.386774D+00 -0.217832D+01
      2  -0.526943D+01  0.668293D+01  0.121432D+02 -0.595090D+00  0.743480D+01
      3  -0.192156D+00 -0.546777D+01 -0.732448D+01  0.208315D+00 -0.525648D+01
      4   0.792180D+01  0.564691D+01  0.137565D+02 -0.141511D+01  0.789023D+01
      5   0.102928D+02 -0.285743D+00  0.506743D+00  0.232576D+01 -0.129466D-01
      6   0.502957D+01 -0.147382D+01 -0.110991D+01 -0.149986D+00 -0.439244D+00
                86            87            88            89            90 
      1  -0.453986D+02  0.230280D+01  0.146502D+01  0.122378D+02 -0.756456D+01
      2   0.816760D+02 -0.620375D+01 -0.222851D+01 -0.243237D+02  0.814730D+01
      3  -0.362774D+02  0.390095D+01  0.763489D+00  0.120859D+02 -0.582741D+00
      4   0.197105D+02 -0.199213D+01 -0.314554D+01 -0.584771D+01  0.203280D+01
      5   0.180731D+00  0.554339D+00  0.154374D+01  0.756974D+00 -0.153003D+01
      6  -0.522155D+01  0.838172D+01 -0.606631D+00  0.140618D+02 -0.224450D+01
                91            92            93            94            95 
      1  -0.199600D+01  0.347725D+01  0.529044D+01  0.139069D+01 -0.142261D+02
      2  -0.149309D+01 -0.184377D+01 -0.220746D+01 -0.140998D+01  0.152627D+02
      3   0.348909D+01 -0.163348D+01 -0.308298D+01  0.192921D-01 -0.103660D+01
      4  -0.329062D+01  0.501203D+01  0.478451D+01  0.123318D+01  0.789543D+00
      5  -0.303414D+01  0.331478D+01  0.677330D+01  0.831159D+00 -0.784138D+00
      6   0.588964D+01 -0.667171D+01 -0.833062D+01 -0.318645D+01  0.111880D+02
                96            97            98            99           100 
      1  -0.821785D+01  0.703847D+01 -0.175588D+02 -0.271129D+02  0.676243D+02
      2   0.595348D+01 -0.147811D+01  0.755538D+01  0.186747D+01 -0.375298D+02
      3   0.226437D+01 -0.556037D+01  0.100034D+02  0.252454D+02 -0.300944D+02
      4  -0.126605D+01  0.361798D+01 -0.186173D+01 -0.210932D+01 -0.102181D+02
      5  -0.117151D+01  0.551653D+01 -0.295490D+01 -0.427100D+01  0.165025D+02
      6   0.129702D+02 -0.771246D+01  0.263874D+02  0.382934D+02 -0.531141D+01
               101           102           103           104           105 
      1   0.212944D+01  0.154246D+02  0.204458D+02  0.365816D+01  0.479849D+01
      2  -0.307271D+01 -0.952865D+01 -0.120599D+02 -0.992529D+00 -0.423651D+01
      3   0.943261D+00 -0.589597D+01 -0.838587D+01 -0.266563D+01 -0.561978D+00
      4   0.856895D+01 -0.203754D+01  0.453722D+01  0.337950D+01  0.254993D+01
      5   0.275772D+00  0.143547D+02  0.493020D+01  0.309414D+01  0.392154D+01
      6  -0.178609D+00 -0.484774D+01 -0.606614D+00 -0.857725D+00  0.729888D+00
               106           107           108           109           110 
      1   0.261030D+02  0.840880D+00  0.114326D+02  0.142193D+02 -0.494499D+01
      2  -0.161318D+02 -0.315989D+01 -0.961459D+01 -0.994469D+01  0.314947D+01
      3  -0.997114D+01  0.231901D+01 -0.181800D+01 -0.427461D+01  0.179552D+01
      4  -0.507536D+01  0.522008D+01 -0.276088D+01 -0.888723D+01  0.613122D+01
      5   0.173893D+02 -0.940224D+00  0.981093D+01 -0.118500D+02  0.742342D+01
      6  -0.431576D+01  0.247813D+01 -0.180583D+01  0.497676D+01 -0.364292D+01
               111           112           113           114           115 
      1  -0.745736D+01 -0.180901D+01 -0.725387D+00  0.157836D+01 -0.153628D+02
      2   0.525187D+01 -0.381404D+00  0.500295D+01 -0.541960D-01  0.117441D+02
      3   0.220548D+01  0.219041D+01 -0.427756D+01 -0.152416D+01  0.361875D+01
      4   0.813081D+01  0.106080D+02 -0.163881D+02 -0.936982D+01  0.198118D+02
      5   0.148800D+02  0.641580D+01 -0.841368D+01 -0.975879D+01  0.262924D+02
      6  -0.558208D+01 -0.412238D+01  0.505741D+01  0.985421D+01 -0.117383D+02
               116           117           118           119           120 
      1   0.642560D+01  0.412550D+01 -0.825768D+00 -0.884609D+01  0.397508D+01
      2  -0.484608D+01 -0.134854D+02  0.142362D+01  0.108447D+02 -0.246370D+01
      3  -0.157952D+01  0.935991D+01 -0.597855D+00 -0.199860D+01 -0.151138D+01
      4  -0.198255D+02 -0.203506D+02 -0.133313D-01 -0.233949D+01  0.189293D+00
      5  -0.222020D+02 -0.445757D+02  0.185528D+01  0.179493D+01  0.140474D+01
      6   0.165341D+02  0.243624D+02 -0.166668D+01 -0.315415D+01  0.116352D+01
               121           122           123           124           125 
      1  -0.774651D+01 -0.208928D+02  0.747590D+01  0.543939D+01  0.101015D+02
      2   0.632825D+00  0.434301D+02 -0.964809D+01 -0.110581D+01 -0.158398D+02
      3   0.711369D+01 -0.225373D+02  0.217218D+01 -0.433358D+01  0.573835D+01
      4   0.143895D+02 -0.436304D+02  0.703329D+01 -0.358932D+01  0.135826D+02
      5   0.405942D+00  0.101499D+02 -0.868418D+01  0.618068D+01 -0.122020D+02
      6   0.211875D+01 -0.155585D+02  0.991796D+01 -0.323708D+01  0.143260D+02
               126           127           128           129           130 
      1  -0.348659D+01  0.503279D+00 -0.950567D+00 -0.327087D+00  0.519723D+00
      2   0.393734D+01  0.192785D+01  0.624059D+00  0.433090D+00 -0.145263D+01
      3  -0.450750D+00 -0.243113D+01  0.326508D+00 -0.106003D+00  0.932910D+00
      4  -0.953311D+01 -0.656435D+00  0.780479D+01  0.210847D+01  0.698586D+01
      5   0.184173D+01 -0.984586D+00  0.335145D+01  0.376456D+01  0.333515D+01
      6  -0.518486D+01  0.372573D+01 -0.147738D+00  0.900352D+00 -0.303040D+01
               131           132           133           134           135 
      1  -0.218580D+02 -0.103426D+02  0.337271D+00 -0.886845D+01 -0.992971D+01
      2   0.263881D+02  0.788847D+01  0.406697D+00  0.663747D+01  0.186976D+01
      3  -0.453004D+01  0.245408D+01 -0.743968D+00  0.223099D+01  0.805995D+01
      4  -0.148040D+01 -0.130890D+01  0.188970D+01 -0.124131D+01  0.265458D+00
      5  -0.201514D+01 -0.103066D+01  0.299343D+01 -0.823944D+00 -0.197062D+01
      6   0.248007D+02  0.164338D+02 -0.966830D+00  0.151179D+02  0.109902D+02
               136           137           138           139           140 
      1   0.563026D+01  0.624780D+01  0.111982D+02  0.924596D+01  0.127053D+02
      2   0.151806D+02 -0.493534D+01 -0.103029D+02 -0.967241D+01 -0.176280D+02
      3  -0.208108D+02 -0.131246D+01 -0.895323D+00  0.426449D+00  0.492267D+01
      4   0.939928D+01  0.287637D+01  0.211794D+01  0.346065D+00 -0.147867D+02
      5   0.128807D+02 -0.757129D+01 -0.204158D+02 -0.110841D+02  0.592536D+01
      6  -0.544990D+01  0.289881D+01  0.376911D+01  0.525458D+01  0.266532D+02
               141           142           143           144           145 
      1  -0.170094D+01  0.986791D+01  0.175103D+01 -0.153500D+02 -0.138538D+02
      2   0.158949D+02 -0.865865D+01  0.918337D+01  0.123099D+01  0.124544D+02
      3  -0.141940D+02 -0.120926D+01 -0.109344D+02  0.141191D+02  0.139935D+01
      4   0.671152D+01  0.330597D+01  0.439997D+01  0.188427D+01  0.219385D+02
      5   0.848946D+01 -0.195099D+02  0.479242D+01  0.260036D+01  0.248105D+02
      6  -0.878721D+01  0.143366D+01 -0.310525D+01 -0.121777D+02  0.741939D+01
               146           147           148           149           150 
      1   0.183127D+02  0.234864D+02  0.288700D+02  0.122276D+02 -0.283646D+01
      2  -0.106404D+02 -0.107600D+02 -0.209007D+02 -0.268116D+02  0.344324D+01
      3  -0.767233D+01 -0.127263D+02 -0.796932D+01  0.145840D+02 -0.606783D+00
      4   0.314157D+01  0.393477D+01 -0.348212D+01 -0.324912D+02  0.648549D+01
      5   0.166363D+01 -0.883732D+01 -0.978608D+00  0.598990D+01  0.955402D+01
      6   0.816313D+00 -0.183687D+01  0.638383D+00 -0.812584D+00  0.285333D+01
               151           152           153           154           155 
      1   0.288234D+02 -0.240908D+01 -0.123493D+02  0.218570D+02 -0.844769D+01
      2  -0.118769D+02  0.342411D+01  0.141162D+02 -0.277273D-01 -0.784058D+01
      3  -0.169465D+02 -0.101504D+01 -0.176693D+01 -0.218293D+02  0.162883D+02
      4   0.248493D+01  0.699871D+01  0.589273D+01 -0.333042D+02  0.285650D+02
      5  -0.142775D+02  0.732331D+01 -0.230162D+02  0.273664D+01 -0.247566D+01
      6  -0.353597D+01  0.389729D+01 -0.728523D+01 -0.319782D+01  0.336441D+01
               156           157           158           159           160 
      1  -0.632551D+00 -0.381354D+01 -0.422169D+00  0.540808D-01 -0.670897D+00
      2   0.954553D+00 -0.904952D+01  0.168015D+02  0.834773D+00  0.702423D+00
      3  -0.322002D+00  0.128631D+02 -0.163794D+02 -0.888854D+00 -0.315260D-01
      4  -0.919847D+00  0.230513D+02 -0.249398D+02  0.148052D+00 -0.244308D+00
      5   0.579182D+01 -0.180796D+01  0.132343D+01 -0.214191D+01  0.577978D+01
      6  -0.322348D+01  0.256975D+01 -0.303868D+01  0.496996D+01 -0.373576D+01
               161           162           163           164           165 
      1   0.303474D-01 -0.724444D-02  0.273232D+01  0.118078D+01 -0.493816D+01
      2   0.144488D+01  0.285403D+00 -0.132608D+02 -0.194943D+01 -0.148965D+02
      3  -0.147523D+01 -0.278158D+00  0.105285D+02  0.768642D+00  0.198346D+02
      4  -0.425152D+00 -0.469860D+01 -0.133453D+01  0.357737D+01 -0.221041D+01
      5  -0.388391D+01  0.200876D+00  0.184464D+02  0.596991D+00  0.195737D+02
      6   0.600810D+01 -0.220160D+01 -0.368575D+01  0.256487D+01 -0.423452D+01
               166           167           168           169           170 
      1  -0.144864D+01 -0.837087D+00 -0.140789D+01 -0.275935D+01  0.865303D+00
      2  -0.222378D+01 -0.209476D+01 -0.312450D+01 -0.118159D+02 -0.128424D+01
      3   0.367243D+01  0.293185D+01  0.453239D+01  0.145752D+02  0.418939D+00
      4   0.263809D+01  0.327053D+00  0.149867D+01 -0.133299D+01  0.206105D+01
      5   0.174811D+01  0.316479D+01  0.300803D+01  0.165943D+02  0.153211D+01
      6   0.186855D+01  0.106878D+01  0.507961D+01 -0.188597D+01  0.517168D+01
               171           172           173           174           175 
      1  -0.131846D+02 -0.256529D+01 -0.619432D+01  0.904980D+01 -0.464487D+01
      2  -0.203784D+02 -0.345127D+01  0.122047D+01  0.350699D+01  0.433185D+00
      3   0.335630D+02  0.601656D+01  0.497384D+01 -0.125568D+02  0.421169D+01
      4  -0.196498D+01  0.613251D+01  0.540082D+01 -0.558909D+01  0.485808D+01
      5   0.212879D+02 -0.129679D+02 -0.651784D+01  0.138765D+02 -0.612252D+01
      6  -0.603324D+01 -0.926911D+01 -0.116215D+02  0.131006D+02 -0.848933D+01
               176           177           178           179           180 
      1  -0.887986D+01  0.940601D+01  0.416126D+01  0.695479D+01 -0.121309D+02
      2   0.664596D+01  0.806956D-01  0.175874D+01  0.146901D+00 -0.644964D+01
      3   0.223390D+01 -0.948671D+01 -0.592000D+01 -0.710169D+01  0.185805D+02
      4   0.396723D+01 -0.383969D+01 -0.242021D+01 -0.294967D+01  0.304338D+01
      5  -0.570162D+01  0.669601D+01  0.954716D+01  0.455420D+01 -0.857082D+01
      6  -0.127463D+02  0.138194D+02  0.654143D+01  0.100496D+02 -0.144247D+02
               181           182           183           184           185 
      1  -0.282206D+01 -0.505684D+00 -0.123186D+02 -0.202086D+01 -0.304413D+01
      2  -0.516070D+01 -0.112893D+01 -0.508266D+01  0.289546D+00  0.106905D+01
      3   0.798276D+01  0.163462D+01  0.174013D+02  0.173132D+01  0.197508D+01
      4  -0.832487D+01 -0.591817D+00 -0.206821D+01 -0.555943D+00  0.538424D+00
      5   0.122599D+02  0.217492D+01  0.607567D+01  0.403861D+01  0.338193D+00
      6   0.188560D+01  0.380223D+01 -0.277230D+01  0.164818D+01 -0.139182D+01
               186           187           188           189           190 
      1  -0.323131D+01 -0.801519D+01 -0.143537D+01 -0.642151D+01 -0.721382D+00
      2  -0.331953D+01 -0.313443D+01 -0.112010D+01 -0.691833D+01  0.534779D+00
      3   0.655084D+01  0.111496D+02  0.255547D+01  0.133398D+02  0.186603D+00
      4  -0.824733D+00 -0.183829D+01  0.115896D+00 -0.310719D+01  0.231125D+01
      5  -0.840075D+00  0.867911D+01  0.863169D+00  0.521087D+01 -0.307405D+01
      6   0.301912D+01 -0.683811D-01  0.428239D+01  0.868684D+00 -0.277772D+01
               191           192           193           194           195 
      1   0.145573D+01 -0.121988D+01  0.411308D+00 -0.210091D+02  0.116551D+02
      2   0.329965D-01  0.155358D+01  0.178112D+01  0.299069D+02 -0.603088D+01
      3  -0.148873D+01 -0.333701D+00 -0.219243D+01 -0.889784D+01 -0.562424D+01
      4   0.642602D+01 -0.221850D+01  0.874704D+01  0.178673D+02 -0.661000D+01
      5  -0.284259D+01  0.519660D+01 -0.494669D+01 -0.620957D+01  0.554141D+01
      6  -0.189211D+01  0.560647D+00 -0.438715D+01 -0.350518D+02  0.196436D+02
               196           197           198           199           200 
      1  -0.526641D+00  0.482979D+01 -0.476820D+01  0.142791D+02 -0.280490D+01
      2   0.139247D+01 -0.940249D+00  0.888720D+00 -0.198705D+02  0.362583D+01
      3  -0.865832D+00 -0.388954D+01  0.387948D+01  0.559144D+01 -0.820935D+00
      4  -0.848589D+00 -0.212887D+01  0.251029D+01 -0.916364D+00  0.509069D+01
      5   0.375957D+01  0.197792D+01 -0.290618D+01 -0.281440D+02  0.456325D+01
      6   0.876095D+00  0.106220D+02 -0.659804D+01  0.329760D+01 -0.618643D+01
               201           202           203           204           205 
      1  -0.328329D+01 -0.489148D+01 -0.119384D+00 -0.114698D+00 -0.277693D+01
      2   0.168300D+02  0.699472D+01 -0.906076D+00 -0.850149D+01  0.121885D+02
      3  -0.135467D+02 -0.210324D+01  0.102546D+01  0.861618D+01 -0.941159D+01
      4   0.485186D-01  0.446425D+01 -0.249071D+01 -0.419267D+01 -0.650644D+00
      5   0.262791D+02  0.109424D+02 -0.640598D+01 -0.107835D+02  0.195207D+02
      6  -0.104931D+01 -0.529021D+01  0.201292D+01  0.634455D+01 -0.186064D+01
               206           207           208           209           210 
      1   0.145723D+00 -0.227413D+01  0.603945D+01 -0.295452D+01  0.543928D+01
      2  -0.392233D+01 -0.163511D+02 -0.683057D+01  0.146498D+01 -0.561382D+01
      3   0.377661D+01  0.186252D+02  0.791113D+00  0.148954D+01  0.174536D+00
      4  -0.281691D+01 -0.119391D+01 -0.152876D+01  0.964948D+00  0.111704D+01
      5  -0.408261D+01 -0.216574D+02  0.667936D+01 -0.745211D+00  0.128175D+02
      6   0.561343D+01  0.199959D+01  0.497713D+00  0.202824D+00  0.213568D+01
               211           212           213           214           215 
      1  -0.755022D+01 -0.171255D+01 -0.363223D+00  0.125797D+02  0.132985D+01
      2   0.459518D+01  0.166701D+01  0.175684D+01 -0.985957D+01  0.160299D+01
      3   0.295504D+01  0.455312D-01 -0.139362D+01 -0.272010D+01 -0.293284D+01
      4   0.177718D+01  0.915875D+00  0.383894D+01  0.477130D+01  0.724663D+01
      5  -0.209366D+01  0.298196D+01 -0.465116D+01  0.193641D+02 -0.732985D+00
      6   0.335515D+00 -0.392905D+00  0.266342D+01  0.481242D+01  0.418377D+01
               216           217           218           219           220 
      1   0.313080D+01  0.612522D+02 -0.691346D+01 -0.152435D+02 -0.224630D+02
      2  -0.165506D+02 -0.330608D+02  0.500151D+01  0.859846D+01  0.129314D+02
      3   0.134198D+02 -0.281914D+02  0.191196D+01  0.664500D+01  0.953161D+01
      4  -0.296191D-01 -0.467635D+00  0.869490D+01  0.600588D+00  0.940495D+01
      5   0.369255D+02 -0.153757D+02  0.166983D+01  0.130789D+02  0.493736D+01
      6   0.106692D+02 -0.332736D+01  0.342408D+00  0.305852D+01  0.324884D-01
               221           222           223           224           225 
      1   0.528418D+01  0.419367D+01 -0.288172D+02  0.183206D+01  0.113504D+02
      2  -0.297932D+00 -0.289040D+01  0.160699D+02 -0.229419D+01 -0.942095D+01
      3  -0.498625D+01 -0.130328D+01  0.127474D+02  0.462130D+00 -0.192944D+01
      4  -0.249204D+01 -0.379019D+01 -0.650483D+00 -0.648605D+01 -0.158854D+01
      5  -0.357267D+01 -0.615872D+01  0.162848D+02 -0.230383D+01 -0.105011D+02
      6   0.531314D+00  0.546881D+00  0.255355D+01  0.694443D+00 -0.104284D+01
               226           227           228           229           230 
      1   0.513149D+01  0.447929D+01 -0.222551D+01  0.647290D+01 -0.123362D+02
      2   0.153905D+00 -0.136562D+01  0.121948D+01  0.550207D+01  0.379807D+02
      3  -0.528539D+01 -0.311367D+01  0.100602D+01 -0.119750D+02 -0.256444D+02
      4   0.428131D+01  0.850450D+01 -0.582984D+00  0.216046D+02  0.477019D+02
      5  -0.191637D+01  0.276665D+00  0.198173D+01  0.128734D+01 -0.118970D+01
      6  -0.566863D+00  0.108494D+00 -0.230624D+00  0.116659D+01  0.353177D+01
               231           232           233           234 
      1   0.114823D+01 -0.451690D+01  0.849183D+00 -0.316054D+00
      2  -0.164391D+01  0.115796D+01 -0.280265D+01  0.134230D+01
      3   0.495680D+00  0.335894D+01  0.195346D+01 -0.102624D+01
      4  -0.111816D+01 -0.240969D+01 -0.430910D+01  0.391654D+01
      5   0.635088D+01  0.427311D+01  0.424986D+01  0.739358D+00
      6   0.686909D+01  0.204425D+01  0.574535D+01 -0.765829D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.684292D-01      0.173930D+00      0.580167D+00
   x         -0.401354D-01     -0.102014D+00     -0.340282D+00
   y         -0.467110D-01     -0.118727D+00     -0.396032D+00
   z         -0.298293D-01     -0.758186D-01     -0.252904D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111426D+03      0.165117D+02      0.183717D+02
   aniso      0.156479D+02      0.231878D+01      0.257999D+01
   xx         0.117628D+03      0.174307D+02      0.193943D+02
   yx        -0.373203D+00     -0.553030D-01     -0.615329D-01
   yy         0.114130D+03      0.169123D+02      0.188175D+02
   zx         0.401355D+00      0.594747D-01      0.661746D-01
   zy         0.433345D+01      0.642151D+00      0.714489D+00
   zz         0.102521D+03      0.151920D+02      0.169034D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.117090D+03      0.173509D+02      0.193055D+02
   aniso      0.162539D+02      0.240858D+01      0.267991D+01
   xx         0.123128D+03      0.182457D+02      0.203011D+02
   yx        -0.323275D+00     -0.479044D-01     -0.533008D-01
   yy         0.120242D+03      0.178181D+02      0.198253D+02
   zx         0.461942D+00      0.684528D-01      0.761640D-01
   zy         0.472302D+01      0.699879D+00      0.778721D+00
   zz         0.107899D+03      0.159889D+02      0.177901D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.11970439          0.28759085         -3.25621449
     6         -1.12813503         -1.45880060         -3.09170145
     6          2.31428899          0.99568301         -1.15442982
     6          4.50336006          2.77770400         -1.07728152
     6          1.35558775         -0.10966715          1.30605507
     6         -1.60594247          0.11872988          1.44856461
     6         -1.59661981         -2.24152505         -0.34074717
     6          0.96616146         -2.98731495          0.86507126
     1          1.70352601          0.97621843         -5.09635134
     1         -0.81818787         -3.14500436         -4.25338500
     1         -2.80794615         -0.53424368         -3.87599503
     1          5.03322410          3.41539256         -2.96384426
     1          6.15359602          1.88972941         -0.20101976
     1          4.05278469          4.44084405          0.06844186
     1          2.44518721          0.51387979          2.94091691
     6         -2.86955020          2.54029520          0.55253151
     6         -2.61744122         -0.51606640          4.07881181
     1         -3.17968603         -3.55414210         -0.17674992
     1          0.75278542         -4.05901271          2.60330337
     1          2.34304751         -3.91610837         -0.35094306
     1         -2.19085586          3.16268051         -1.28411378
     1         -2.52916758          4.06706835          1.90231013
     1         -4.91448477          2.27232330          0.42907070
     1         -1.81228831         -2.23749301          4.86695002
     1         -4.66795611         -0.75681813          4.01471388
     1         -2.21208090          1.02492136          5.39274449

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.684292D-01      0.173930D+00      0.580167D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.684292D-01      0.173930D+00      0.580167D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111426D+03      0.165117D+02      0.183717D+02
   aniso      0.156479D+02      0.231878D+01      0.257999D+01
   xx         0.113377D+03      0.168007D+02      0.186933D+02
   yx         0.664516D+01      0.984712D+00      0.109564D+01
   yy         0.105289D+03      0.156023D+02      0.173599D+02
   zx        -0.212896D+01     -0.315480D+00     -0.351018D+00
   zy         0.185281D+01      0.274559D+00      0.305488D+00
   zz         0.115613D+03      0.171320D+02      0.190620D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.117090D+03      0.173509D+02      0.193055D+02
   aniso      0.162539D+02      0.240858D+01      0.267991D+01
   xx         0.118935D+03      0.176243D+02      0.196097D+02
   yx         0.688162D+01      0.101975D+01      0.113463D+01
   yy         0.110657D+03      0.163977D+02      0.182449D+02
   zx        -0.185731D+01     -0.275225D+00     -0.306229D+00
   zy         0.208338D+01      0.308725D+00      0.343502D+00
   zz         0.121678D+03      0.180308D+02      0.200619D+02

 ----------------------------------------------------------------------
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 @


 ...THOSE SCIENCES ARE VAIN AND FULL OF ERRORS WHICH 
 ARE NOT BORN FROM EXPERIMENT, THE MOTHER OF CERTAINTY...

                          -- LEONARDO DA VINCI, 1452-1519
 Job cpu time:       0 days 14 hours 42 minutes  0.2 seconds.
 Elapsed time:       0 days  0 hours 55 minutes 12.5 seconds.
 File lengths (MBytes):  RWF=    430 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 22:40:17 2021.
